1-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]pyrazole-3-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)N2C=CC(=N2)C(=O)O

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C13H19N3O3/c1-9-3-6-15(7-4-9)12(17)10(2)16-8-5-11(14-16)13(18)19/h5,8-10H,3-4,6-7H2,1-2H3,(H,18,19)/t10-/m0/s1