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

Systemtic Name: 1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(4-methylcyclohexyl)amino]ethyl]pyrazole-3-carboxylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C(C)N2C=CC(=N2)C(=O)O

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@H](C)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C14H21N3O3/c1-9-3-5-11(6-4-9)15-13(18)10(2)17-8-7-12(16-17)14(19)20/h7-11H,3-6H2,1-2H3,(H,15,18)(H,19,20)/t9?,10-,11?/m0/s1