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

Systemtic Name: 1-(4-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C20H16BrF3N2O2 MolecularWeight: 453.25245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrF3N2O2/c1-2-3-16-17(19(27)28)18(12-4-6-13(7-5-12)20(22,23)24)25-26(16)15-10-8-14(21)9-11-15/h4-11H,2-3H2,1H3,(H,27,28)