Molecule ID: 4021

IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one

Description: The molecule is a pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively. It has a role as a radical scavenger and an antioxidant.

SMILES: CC1=NN(c2ccccc2)C(=O)C1

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

InChI: InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

Molecular Properties:
- Polar Surface Area: 32.7 Ų
- LogP: 1.3