3-(2-phenylpropyl)-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-(2-phenylpropyl)-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-(2-phenylpropyl)-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-(2-phenylpropyl)-5-propyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-(2-phenylpropyl)-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-(2-phenylpropyl)-5-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C23H23F3N2O2 MolecularWeight: 416.43613

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23F3N2O2/c1-3-9-20-21(22(29)30)18(14-15(2)16-10-5-4-6-11-16)27-28(20)19-13-8-7-12-17(19)23(24,25)26/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,29,30)