Compound: Propyphenazone
SMILES: O=c1n(n(C)c(c1C(C)C)C)-c2ccccc2
InChIKey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
Synonyms: Propyphenazone, 479-92-5, isopropylantipyrine, 4-Isopropylantipyrine, Isopropylphenazone, Propifenazona, Yoshipyrin, Propifenazone, Propyphenazonum, 1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one, 1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one, 4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one, DTXSID6023529, OED8FV75PY, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-, CHEBI:135538, 4-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, 1,5-dimethyl-2-phenyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one, DTXCID503529, 1,5-dimethyl-4-(1-methylethyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one, RefChem:869873, N02BB04, 207-539-2, Isopropyl Phenazone, propylphenazone, Isopropyrine, Isopropylantipyrin, Larodon, Budirol, Cibalgina, 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one, Propyphenazon, ANTIPYRINE, 4-ISOPROPYL-, 2,3-Dimethyl-4-isopropyl-1-phenyl-3H-pyrazolin-5-one, 3-Pyrazolin-5-one, 2,3-dimethyl-4-isopropyl-1-phenyl-, 3-Pyrazolin-5-one, 4-isopropyl-2,3-dimethyl-1-phenyl-, Isopropylantipyrinum, 4-Isopropyl-2,3-dimethyl-1-phenyl-5-pyrazolone, Propyphenazone (4-Isopropylantipyrine), 4-Isopropylantipyrine;Isopropylphenazone, Propyphenazone (INN), 4-Isopropyl-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, NCGC00164612-01, Isopropchin, 4-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, PROPYPHENAZONE [INN], Propifenazone [DCIT], Causyth, Propifenazona [INN-Spanish], Propyphenazonum [INN-Latin], CAS-479-92-5, 4-Isopropylphenazone, CCRIS 6716, Propyphenazone [INN:BAN:DCF], EINECS 207-539-2, UNII-OED8FV75PY, BRN 0204533, 2,3-dimethyl-4-(methylethyl)-1-phenyl-3-pyrazolin-5-one, Yoshipyrin (TN), Propyphenazone CRS, 5-Pyrazolone, 1-phenyl-2,3-dimethyl-4-isopropyl-, MFCD00053368, Propyphenazone (Standard), ChemDiv2_002457, Epitope ID:124928, PROPYPHENAZONE [MI], Isopropylantipyrine (JP18), SCHEMBL23393, 4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one, 5-24-01-00408 (Beilstein Handbook Reference), MLS004773970, CHEMBL28318, PROPYPHENAZONE [MART.], orb1302182, PROPYPHENAZONE [WHO-DD], HY-A0273R, ISOPROPYLANTIPYRINE [JAN], PXWLVJLKJGVOKE-UHFFFAOYSA-, HMS1375P15, HMS5084A08, HY-A0273, MSK10117, Tox21_112233, PROPYPHENAZONE [EP MONOGRAPH], s5309, SBB057120, STK766727, AKOS001725335, Tox21_112233_1, CCG-266797, CS-5533, DB13524, FP67039, 4-Isopropylantipyrine,Isopropylphenazone, NCGC00164612-02, AC-12099, BS-16890, Propyphenazone 1.0 mg/ml in Acetonitrile, SMR001495368, ST007547, I0656, NS00010501, D01380, D91192, Q425111, SR-01000536454, 4-Isopropylantipyrine, analytical reference material, SR-01000536454-1, 4-ISOPROPYL-1,5-DIMETHYL-2-PHENYL-3-PYRAZOLONE, Propyphenazone, European Pharmacopoeia (EP) Reference Standard, 4-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one #, pyrazole, 2,3-dihydro-4-isopropyl-1,5-dimethyl-3-oxo-2-phenyl-, Propyphenazone, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
Theoretical properties:
molecular_formula: C14H18N2O
molecular_weight: 230.31 g/mol
exact_mass: 230.141913202 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 17
topological_polar_surface_area: 23.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Propyphenazone is a pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a peripheral nervous system drug. It is functionally related to an antipyrine.
chebi: A pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group.
chembl: PROPYPHENAZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Propyphenazone (known as isopropylantipyrine in Japan) is a derivative of phenazone with similar analgesic and antipyretic effects. Originally patented in 1931, propyphenazone is marketed as a combination formulation with paracetamol and caffeine for treatment of primary headache disorder.