1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2,4-dimethylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O2/c1-7-3-4-10(8(2)5-7)18-11(13(14,15)16)9(6-17-18)12(19)20/h3-6H,1-2H3,(H,19,20)