5-propyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: 5-propyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: 5-propyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-propyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylate IUPAC Name: 5-propyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-propyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Formula: C14H12F3N2O2- MolecularWeight: 297.25249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C14H13F3N2O2/c1-2-4-12-11(13(20)21)8-18-19(12)10-6-3-5-9(7-10)14(15,16)17/h3,5-8H,2,4H2,1H3,(H,20,21)/p-1