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

Systemtic Name: 1-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)N1C=C(C=N1)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C11H17N3O3/c1-7(2)4-12-10(15)8(3)14-6-9(5-13-14)11(16)17/h5-8H,4H2,1-3H3,(H,12,15)(H,16,17)/t8-/m0/s1