1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid CAS Name: 1-[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Formula: C16H11F3N4O2 MolecularWeight: 348.27935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O2/c1-9-2-4-10(5-3-9)12-8-13(16(17,18)19)21-15(20-12)23-7-6-11(22-23)14(24)25/h2-8H,1H3,(H,24,25)