ethyl 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C16H17F3N2O2 MolecularWeight: 326.31359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2/c1-3-5-12-10-14(15(22)23-4-2)21(20-12)13-8-6-11(7-9-13)16(17,18)19/h6-10H,3-5H2,1-2H3