1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,5-dimethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(1,5-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=C(C=NN1C)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=C(C=NN1C)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

InChI

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