1.0 2016-05-22 03:45:31 UTC 2026-08-19 06:24:45 UTC Propyphenazone SmallMolecule Propyphenazone is an organic compound with the chemical formula C14H18N2O and an average molecular weight of 230.31 g/mol. Propyphenazone belongs to the pyrazoles, a subclass of azoles within the organic compounds. It is classified under the superclass of organoheterocyclic compounds. The compound has been identified in four recorded sources, including pharmaceuticals and veterinary products used as analgesics, drinking water and water supply, food preservation within food and food processing, and electrodes in electrical and electronic equipment. The recorded route of exposure for this substance is oral. In terms of biological activity, propyphenazone acts on two recorded protein targets, functioning as an inhibitor of Prostaglandin G/H synthase 1 (PTGS1) and Prostaglandin G/H synthase 2 (PTGS2). C14H18N2O 230.311 230.141913208 1,5-dimethyl-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one demex 479-92-5 CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1 InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 PXWLVJLKJGVOKE-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Azoles Pyrazoles Phenylpyrazoles Azacyclic compounds Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrazolones Vinylogous amides Aromatic heteromonocyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylpyrazole Pyrazolinone Vinylogous amide Aromatic heteromonocyclic compounds pyrazolone Detected and Not Quantified logp 2.35 logp 1.94 ALOGPS logs -1.40 ALOGPS solubility 9.26e+00 g/l ALOGPS logp 2.35 ChemAxon pka_strongest_basic 0.47 ChemAxon iupac 1,5-dimethyl-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one ChemAxon average_mass 230.311 ChemAxon mono_mass 230.141913208 ChemAxon smiles CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1 ChemAxon formula C14H18N2O ChemAxon inchi InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 ChemAxon inchikey PXWLVJLKJGVOKE-UHFFFAOYSA-N ChemAxon polar_surface_area 23.55 ChemAxon refractivity 69.92 ChemAxon polarizability 26.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722464ab48> DB13524 3778 3646 BE0000017 BE0000262