3-(4-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-5-ethyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-5-ethyl-1-(4-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-5-ethyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C20H17N3O2/c1-3-17-18(20(24)25)19(15-8-6-14(12-21)7-9-15)22-23(17)16-10-4-13(2)5-11-16/h4-11H,3H2,1-2H3,(H,24,25)