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

Systemtic Name: 1-(4-bromophenyl)-5-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-ethyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C19H14BrF3N2O2 MolecularWeight: 439.22587

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H14BrF3N2O2/c1-2-15-16(18(26)27)17(11-3-5-12(6-4-11)19(21,22)23)24-25(15)14-9-7-13(20)8-10-14/h3-10H,2H2,1H3,(H,26,27)