1-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotic acid Formula: C15H16F3N5O2 MolecularWeight: 355.31505

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O2/c1-22-8-10(7-19-22)11-6-12(15(16,17)18)21-14(20-11)23-4-2-9(3-5-23)13(24)25/h6-9H,2-5H2,1H3,(H,24,25)