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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

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