1-methyl-5-[(phenylmethyl)carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[(phenylmethyl)carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 5-(benzylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-(benzylcarbamoyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(benzylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3/c1-16-11(10(8-15-16)13(18)19)12(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,17)(H,18,19)