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

Systemtic Name: 1-(4-methoxyphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(4-methoxyphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C21H19F3N2O3 MolecularWeight: 404.38237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O3/c1-3-4-17-18(20(27)28)19(13-5-7-14(8-6-13)21(22,23)24)25-26(17)15-9-11-16(29-2)12-10-15/h5-12H,3-4H2,1-2H3,(H,27,28)