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

Systemtic Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid CAS Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Formula: C17H13F3N4O2 MolecularWeight: 362.30593

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O2/c1-2-10-3-5-11(6-4-10)13-9-14(17(18,19)20)22-16(21-13)24-8-7-12(23-24)15(25)26/h3-9H,2H2,1H3,(H,25,26)