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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C(C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@H]1CCCCN1C(=O)[C@H](C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H19N3O3/c1-9-5-3-4-6-15(9)12(17)10(2)16-8-11(7-14-16)13(18)19/h7-10H,3-6H2,1-2H3,(H,18,19)/t9-,10-/m0/s1