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

Systemtic Name: 5-phenyl-3-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-phenyl-3-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-phenyl-3-propyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-phenyl-3-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-phenyl-3-propyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C20H17F3N2O2 MolecularWeight: 374.35639

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2/c1-2-8-15-17(19(26)27)18(13-9-4-3-5-10-13)25(24-15)16-12-7-6-11-14(16)20(21,22)23/h3-7,9-12H,2,8H2,1H3,(H,26,27)