1-methyl-5-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 5-benzyl-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-benzyl-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-benzyl-1-methyl-pyrazole-4-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-14-11(10(8-13-14)12(15)16)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)