1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]pyrazole-3-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C=CC(=N2)C(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-9-3-2-5-14(7-9)11(16)8-15-6-4-10(13-15)12(17)18/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,18)/t9-/m0/s1