1-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-dimethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotic acid Formula: C16H18F3N5O2 MolecularWeight: 369.34163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F)C

InChI

InChI=1S/C16H18F3N5O2/c1-9-11(8-23(2)22-9)12-7-13(16(17,18)19)21-15(20-12)24-5-3-10(4-6-24)14(25)26/h7-8,10H,3-6H2,1-2H3,(H,25,26)