Molecule ID: 45266903

IUPAC Name: 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-6-oxohexanoic acid

Description: The molecule is a dicarboxylic acid monoamide that is the N-antipyrinyl derivative of adipamic acid. It is a monocarboxylic acid, a dicarboxylic acid monoamide and a pyrazolone. It derives from an antipyrine and an adipamic acid.

SMILES: Cc1c(N=C(O)CCCCC(=O)O)c(=O)n(-c2ccccc2)n1C

SELFIES: [C][C][=C][Branch1][#C][N][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C]

InChI: InChI=1S/C17H21N3O4/c1-12-16(18-14(21)10-6-7-11-15(22)23)17(24)20(19(12)2)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,21)(H,22,23)

Molecular Properties:
- Polar Surface Area: 90.0 Ų
- LogP: 0.1