Compound: nifenazone
SMILES: O=c1n(n(C)c(c1NC(=O)c2cnccc2)C)-c3ccccc3
InChIKey: BRZANEXCSZCZCI-UHFFFAOYSA-N
Synonyms: nifenazone, 2139-47-1, Niapyrin, Nicophezon, Nikofezon, N-Antipyrinylnicotinamide, Nifenazona, Nifenazonum, NSC-758411, DTXSID7045366, 8780F0K71U, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)pyridine-3-carboxamide, DTXCID5025366, RefChem:854136, M02AA24, N02BB05, 218-387-1, Phenicazone, Nifenazon, Thylin, Nicazane, Nicodone, Nicofesone, Nicophesone, Nicotazone, Nicopyron, Nicoreumal, Nicoron, Nicozone, Nikodon, Anicotinoylantipyrine, Nicotinoylaminoantipyrine, 1,5-Dimethyl-4-nicotinamido-2-phenyl-3-pyrazolone, 4-(Nicotinamido)antipyrine, Nicotinamide, N-antipyrinyl-, 4-(Nicotinoylamino)antipyrine, Nicotinic acid 4-antipyrilamide, Nicotinamide, N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-, Nicotinic acid, amidophenyldimethylpyrazolone, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide, N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-pyridinecarboxamide, 4-Nicotinoylamido-1-phenyl-2,3-dimethyl-5-pyrazolone, Nicotinsaeureamidophenyldimethylpyrazolons, NCGC00016605-01, CAS-2139-47-1, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)nicotinamide, Dolongan, Niprazine, Reupiron, Nifenazone [INN:BAN], SR-01000632824, Nifenazonum [INN-Latin], Nifenazona [INN-Spanish], Nicotinoylantipyrine, Prestwick_582, EINECS 218-387-1, BRN 0307504, Spectrum_001575, Nicotinoylaminophenazone;, NIFENAZONE [MI], Nifenazone (JAN/INN), NIFENAZONE [INN], NIFENAZONE [JAN], Prestwick0_000225, Prestwick1_000225, Prestwick2_000225, Prestwick3_000225, Spectrum2_000860, Spectrum3_001575, Spectrum4_000848, Spectrum5_000972, N-Nicotinoylaminoantipyrine, N -Antipyrinylnicotinamide;, NIFENAZONE [MART.], NIFENAZONE [WHO-DD], Nicotinsaeureamidophenyldimethylpyrazolons [German], Oprea1_385416, SCHEMBL25945, BSPBio_000269, BSPBio_003110, KBioGR_001455, KBioSS_002055, MLS000768954, DivK1c_000546, SPECTRUM1503230, SPBio_000879, SPBio_002190, Nifenazone, analytical standard, BPBio1_000297, orb1310107, 2,3-dimethyl-4-nicotinamido-1-phenyl-3-pyrazolin-5-on, CHEMBL1413176, SCHEMBL29481949, UNII-8780F0K71U, CHEBI:31910, HMS501L08, KBio1_000546, KBio2_002055, KBio2_004623, KBio2_007191, KBio3_002610, NINDS_000546, HMS1568N11, HMS1922K15, HMS2095N11, HMS2796P15, HMS3712N11, Pharmakon1600-01503230, N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)nicotinamid, Tox21_110519, CCG-40077, EBC-13986, MFCD00214069, NSC758411, STK733507, AKOS001038391, Tox21_110519_1, DB13407, NSC 758411, IDI1_000546, NCGC00016605-02, NCGC00016605-03, NCGC00016605-04, NCGC00016605-05, NCGC00016605-08, NCGC00095026-01, NCGC00095026-02, NCGC00178289-01, NCGC00178289-02, DA-56175, HY-17475, MS-24466, SMR000433688, SBI-0051796.P002, CS-0009213, NS00010564, SW196756-3, D01437, G12495, AB00052331_09, AB00052331_10, EN300-7494160, 5-25-14-00153 (Beilstein Handbook Reference), Q646567, SR-01000632824-1, SR-01000632824-3, SR-01000632824-4, BRD-K47407372-001-05-6, BRD-K47407372-001-09-8, BRD-K47407372-001-15-5, BRD-K47407372-001-16-3, BRD-K47407372-001-17-1, Z27661938, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-nicotinamide, N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)pyridine-3-carboxamide, 3-Pyridinecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)nicotinamide #
Theoretical properties:
molecular_formula: C17H16N4O2
molecular_weight: 308.33 g/mol
exact_mass: 308.12732577 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 23
topological_polar_surface_area: 65.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 45.2 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: Nifenazone is a member of pyrazoles and a ring assembly.
chembl: NIFENAZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Nifenazone is a drug that has been used as an analgesic for a number of rheumatic conditions.