1-methyl-4-[(phenylmethyl)amino]pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-4-[(phenylmethyl)amino]pyrazole-3-carboxylic acid Openeye Name: 4-(benzylamino)-1-methyl-pyrazole-3-carboxylic acid CAS Name: 1-methyl-4-[(phenylmethyl)amino]-3-pyrazolecarboxylic acid IUPAC Name: 4-(benzylamino)-1-methylpyrazole-3-carboxylic acid Traditional Name: 4-(benzylamino)-1-methyl-pyrazole-3-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2/c1-15-8-10(11(14-15)12(16)17)13-7-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,16,17)