2-methyl-4-[(phenylmethyl)amino]pyrazole-3-carboxylate

Systemtic Name: 2-methyl-4-[(phenylmethyl)amino]pyrazole-3-carboxylate Openeye Name: 4-(benzylamino)-2-methyl-pyrazole-3-carboxylate CAS Name: 2-methyl-4-[(phenylmethyl)amino]-3-pyrazolecarboxylate IUPAC Name: 4-(benzylamino)-2-methylpyrazole-3-carboxylate Traditional Name: 4-(benzylamino)-2-methyl-pyrazole-3-carboxylate Formula: C12H12N3O2- MolecularWeight: 230.24258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)NCC2=CC=CC=C2)C(=O)[O-]

InChI

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