ethyl 1-tert-butyl-3-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-tert-butyl-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-tert-butyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-tert-butyl-3-(4-methylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-tert-butyl-3-(p-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C(C)(C)C

InChI

InChI=1S/C17H22N2O2/c1-6-21-16(20)14-11-19(17(3,4)5)18-15(14)13-9-7-12(2)8-10-13/h7-11H,6H2,1-5H3