Molecule ID: 123963

IUPAC Name: 5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one

Description: The molecule is a pyrazolone that is antipyrine in which one of the hydrogens of the 5-methyl group is substituted by a hydroxymethyl group. It is a metabolite of the analgesic drug, antipyrene. It has a role as a drug metabolite and a human urinary metabolite. It derives from an antipyrine.

SMILES: Cn1c(CO)cc(=O)n1-c1ccccc1

SELFIES: [C][N][C][Branch1][Ring1][C][O][=C][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C11H12N2O2/c1-12-10(8-14)7-11(15)13(12)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3

Molecular Properties:
- Polar Surface Area: 43.8 Ų
- LogP: -0.9