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

Systemtic Name: 5-ethyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-ethyl-pyrazole-4-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC1=C(C=NN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-2-12-11(13(16)17)8-14-15(12)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17)