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

Systemtic Name: 1-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1R)-1-methyl-2-[(1-methyl-4-piperidyl)amino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2R)-1-[(1-methyl-4-piperidinyl)amino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[(1-methyl-4-piperidyl)amino]ethyl]pyrazole-4-carboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCN(CC1)C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@H](C(=O)NC1CCN(CC1)C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H20N4O3/c1-9(17-8-10(7-14-17)13(19)20)12(18)15-11-3-5-16(2)6-4-11/h7-9,11H,3-6H2,1-2H3,(H,15,18)(H,19,20)/t9-/m1/s1