Antipyrine
CAS Number: 60-80-0
Molecular Mass: 188.23 g/mol
Formula: C11H12N2O
Smiles: Cc1cc(=O)n(-c2ccccc2)n1C
Synonymes:
Antipyrine, antipyrine, Phenazone, 60-80-0, Analgesine, Antipyrin, Fenazone, Antipyrinum, 2,3-Dimethyl-1-phenyl-5-pyrazolone, Phenazonum, Fenazona, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, 2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one, 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, 1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 1,5-dimethyl-2-phenylpyrazol-3-one, DTXSID6021117, CHEBI:31225, 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, T3CHA1B51H, DTXCID401117, RefChem:54230, N02BB01, S02DA03, 200-486-6, Anodynin, Anodynine, Azophen, Antipirin, Phenozone, Phenylone, Dimethyloxychinizin, Apirelina, Azophene, Methozin, Parodyne, Pyrazophyl, Sedatine, Dimethyloxyquinazine, Oxydimethylquinazine, Azophenum, Phenylon, 3-Antipyrine, Fenazon [Czech], Oxydimethylquinizine, Fenazona [INN-Spanish], Phenazone (pharmaceutical), Fenazon, 1-Phenyl-2,3-dimethyl-5-pyrazolone, MFCD00003146, 1-Phenyl-2,3-dimethylpyrazole-5-one, NSC 7945, Phenazone, Phenazon, Phenazone [INN], 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one, 1,5-dimethyl-2-phenyl-pyrazol-3-one, Phenazone (INN), NSC-7945, s3173, CAS-60-80-0, NCGC00016274-04, Antipyrine [JAN], 2-Trideuteromethyl-3-methyl-1-phenyl-3-pyrazolin-5-one, Phenazonum [INN-Latin], SMR000238140, CCRIS 1369, Antipyrine [USP:JAN], SR-05000001566, EINECS 200-486-6, pyrazole, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, UNII-T3CHA1B51H, Antipyrien, AI3-15293, Phenazone CRS, .beta.-Antipyrine, Prestwick_26, component of Auralgan, Antipyrine (Standard), Spectrum_000058, ANTIPYRINE [MI], Prestwick0_000029, Prestwick1_000029, Prestwick2_000029, Prestwick3_000029, Spectrum2_000088, Spectrum3_000305, Spectrum4_000152, Spectrum5_000842, ANTIPYRINE [VANDF], ANTIPYRINUM [HPUS], Antipyrine (JP17/USP), Epitope ID:124927, PHENAZONE [MART.], EC 200-486-6, PHENAZONE [WHO-DD], 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, ANTIPYRINE [USP-RS], Auralgan component antipyrine, SCHEMBL20452, BSPBio_000097, BSPBio_001870, KBioGR_000624, KBioSS_000438, MLS001331753, MLS001332401, MLS001332402, MLS002154179, DivK1c_000484, SPECTRUM1500128, SPBio_000016, SPBio_002018, Antipyrine, analytical standard, BPBio1_000107, CHEMBL277474, orb1310338, orb3139301, SCHEMBL3065572, PHENAZONE [EP IMPURITY], PHENAZONE [EP MONOGRAPH], HMS501I06, HY-B0171R, KBio1_000484, KBio2_000438, KBio2_003006, KBio2_005574, KBio3_001370, ANTIPYRINE [USP IMPURITY], MSK7125, NSC7945, Antipyrine, >=99.0% (RT), NINDS_000484, ANTIPYRINE [USP MONOGRAPH], HMS1568E19, HMS1920E09, HMS2091K09, HMS2095E19, HMS2272G04, HMS3652C09, HMS3712E19, HMS3885C11, HMS5081O22, Pharmakon1600-01500128, WLN: T5NNVJ A1 BR& E1, HY-B0171, Tox21_110342, Tox21_201600, Tox21_303026, Antipyrine, Sigma Reference Standard, BDBM50103600, CCG-38904, EBC-03511, NSC755874, SBB017226, STK328171, 1,5-Dimethyl-2-phenyl-3-pyrazolone, AKOS000588788, MSK7125-1000A, Tox21_110342_1, CS-2044, DB01435, FD75059, NSC-755874, IDI1_000484, Phenazone 10 microg/mL in Acetonitrile, Antipyrine, analytical reference material, Antipyrine, tested according to Ph.Eur., Antipyrine, Propyphenazone EP Impurity A, NCGC00016274-01, NCGC00016274-02, NCGC00016274-03, NCGC00016274-05, NCGC00016274-06, NCGC00016274-07, NCGC00016274-09, NCGC00016274-10, NCGC00094591-01, NCGC00094591-02, NCGC00094591-03, NCGC00178937-01, NCGC00178937-02, NCGC00256527-01, NCGC00259149-01, AS-13248, ST009485, SBI-0051287.P003, Antipyrine, Vetec(TM) reagent grade, 98%, D1876, NS00000287, SW196343-3, T0734, EN300-17057, BIM-0051287.0001, D01776, H11233, PROPYPHENAZONE IMPURITY A [EP IMPURITY], Antipyrine Solution in Acetonitrile, 1000ug/mL, AF-960/00437050, F358184, Q415578, SR-05000001566-1, SR-05000001566-3, BRD-K46937689-001-05-1, BRD-K46937689-001-08-5, BRD-K46937689-001-14-3, BRD-K46937689-001-15-0, Z56869297, F2173-0728, 1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one #, Phenazone, European Pharmacopoeia (EP) Reference Standard, Antipyrine, United States Pharmacopeia (USP) Reference Standard
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 288.15 | - | 365.0 | [225] |
| 1-Butanol | 293.15 | - | 421.0 | [225] |
| 1-Butanol | 298.15 | - | 480.0 | [225] |
| 1-Butanol | 303.15 | - | 541.0 | [225] |
| 1-Butanol | 308.15 | - | 640.0 | [225] |
| 1-Butanol | 313.15 | - | 746.0 | [225] |
| 1-Butanol | 318.15 | - | 860.0 | [225] |
| 1-Butanol | 323.15 | - | 1030.0 | [225] |
| 1-Butanol | 328.15 | - | 1170.0 | [225] |
| 1-Propanol | 288.15 | - | 446.0 | [225] |
| 1-Propanol | 293.15 | - | 515.0 | [225] |
| 1-Propanol | 298.15 | - | 587.0 | [225] |
| 1-Propanol | 303.15 | - | 703.0 | [225] |
| 1-Propanol | 308.15 | - | 826.0 | [225] |
| 1-Propanol | 313.15 | - | 959.0 | [225] |
| 1-Propanol | 318.15 | - | 1100.0 | [225] |
| 1-Propanol | 323.15 | - | 1310.0 | [225] |
| 1-Propanol | 328.15 | - | 1550.0 | [225] |
| Acetone | 288.15 | - | 140.0 | [225] |
| Acetone | 293.15 | - | 160.0 | [225] |
| Acetone | 298.15 | - | 190.0 | [225] |
| Acetone | 303.15 | - | 250.0 | [225] |
| Acetone | 308.15 | - | 310.0 | [225] |
| Acetone | 313.15 | - | 372.0 | [225] |
| Acetone | 318.15 | - | 470.0 | [225] |
| Acetone | 323.15 | - | 610.0 | [225] |
| Acetone | 328.15 | - | 768.0 | [225] |
| Ethanol | 288.15 | - | 528.0 | [225] |
| Ethanol | 293.15 | - | 661.0 | [225] |
| Ethanol | 298.15 | - | 753.0 | [225] |
| Ethanol | 303.15 | - | 900.0 | [225] |
| Ethanol | 308.15 | - | 1000.0 | [225] |
| Ethanol | 313.15 | - | 1230.0 | [225] |
| Ethanol | 318.15 | - | 1410.0 | [225] |
| Ethanol | 323.15 | - | 1610.0 | [225] |
| Ethanol | 328.15 | - | 1900.0 | [225] |
| Ethyl acetate | 288.15 | - | 40.0 | [225] |
| Ethyl acetate | 293.15 | - | 59.0 | [225] |
| Ethyl acetate | 298.15 | - | 80.0 | [225] |
| Ethyl acetate | 303.15 | - | 100.0 | [225] |
| Ethyl acetate | 308.15 | - | 140.0 | [225] |
| Ethyl acetate | 313.15 | - | 190.0 | [225] |
| Ethyl acetate | 318.15 | - | 230.0 | [225] |
| Ethyl acetate | 323.15 | - | 325.0 | [225] |
| Ethyl acetate | 328.15 | - | 460.0 | [225] |
| Isobutanol | 288.15 | - | 361.0 | [225] |
| Isobutanol | 293.15 | - | 417.0 | [225] |
| Isobutanol | 298.15 | - | 475.0 | [225] |
| Isobutanol | 303.15 | - | 536.0 | [225] |
| Isobutanol | 308.15 | - | 634.0 | [225] |
| Isobutanol | 313.15 | - | 739.0 | [225] |
| Isobutanol | 318.15 | - | 850.0 | [225] |
| Isobutanol | 323.15 | - | 1020.0 | [225] |
| Isobutanol | 328.15 | - | 1150.0 | [225] |
| Isopropanol | 288.15 | - | 270.0 | [225] |
| Isopropanol | 293.15 | - | 336.0 | [225] |
| Isopropanol | 298.15 | - | 366.0 | [225] |
| Isopropanol | 303.15 | - | 429.0 | [225] |
| Isopropanol | 308.15 | - | 531.0 | [225] |
| Isopropanol | 313.15 | - | 600.0 | [225] |
| Isopropanol | 318.15 | - | 715.0 | [225] |
| Isopropanol | 323.15 | - | 880.0 | [225] |
| Isopropanol | 328.15 | - | 1000.0 | [225] |
| Methanol | 288.15 | - | 1030.0 | [225] |
| Methanol | 293.15 | - | 1240.0 | [225] |
| Methanol | 298.15 | - | 1460.0 | [225] |
| Methanol | 303.15 | - | 1700.0 | [225] |
| Methanol | 308.15 | - | 2000.0 | [225] |
| Methanol | 313.15 | - | 2230.0 | [225] |
| Methanol | 318.15 | - | 2650.0 | [225] |
| Methanol | 323.15 | - | 3000.0 | [225] |
| Methanol | 328.15 | - | 3500.0 | [225] |
| Methyl acetate | 288.15 | - | 74.0 | [225] |
| Methyl acetate | 293.15 | - | 99.0 | [225] |
| Methyl acetate | 298.15 | - | 120.0 | [225] |
| Methyl acetate | 303.15 | - | 150.0 | [225] |
| Methyl acetate | 308.15 | - | 200.0 | [225] |
| Methyl acetate | 313.15 | - | 285.0 | [225] |
| Methyl acetate | 318.15 | - | 372.0 | [225] |
| Methyl acetate | 323.15 | - | 499.0 | [225] |
| Methyl acetate | 328.15 | - | 713.0 | [225] |
| Water | 288.15 | - | 2290.0 | [225] |
| Water | 293.15 | - | 2600.0 | [225] |
| Water | 298.15 | - | 3110.0 | [225] |
| Water | 303.15 | - | 3660.0 | [225] |
| Water | 308.15 | - | 4500.0 | [225] |
| Water | 313.15 | - | 5110.0 | [225] |
| Water | 318.15 | - | 6080.0 | [225] |
| Water | 323.15 | - | 7480.0 | [225] |
| Water | 328.15 | - | 8770.0 | [225] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 357.5837 |
| PMI2 | 1041.0989 |
| PMI3 | 1313.2659 |
| NPR1 | 0.2723 |
| NPR2 | 0.7928 |
| RadiusOfGyration | 2.6840 |
| InertialShapeFactor | 0.0022 |
| Eccentricity | 0.9622 |
| Asphericity | 0.3956 |
| SpherocityIndex | 0.1647 |
| PBF | 0.5752 |