5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(4,6-dimethyl-2-pyrimidinyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C11H8ClF3N4O2 MolecularWeight: 320.65503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)C

InChI

InChI=1S/C11H8ClF3N4O2/c1-4-3-5(2)17-10(16-4)19-8(12)6(9(20)21)7(18-19)11(13,14)15/h3H,1-2H3,(H,20,21)