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

Systemtic Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c1-7-10(11(18)19)6-16-17(7)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,18,19)