1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(m-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(m-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F

InChI

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