1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)isonipecotic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-7-10(8(2)14-13-7)11(16)15-5-3-9(4-6-15)12(17)18/h9H,3-6H2,1-2H3,(H,13,14)(H,17,18)