Molecule ID: 65743

IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

Description: The molecule is a member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of pyrazoles and a member of acetamides. It derives from an antipyrine.

SMILES: CC(O)=Nc1c(C)n(C)n(-c2ccccc2)c1=O

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

InChI: InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 0.0