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

Systemtic Name: 1-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)N1C=CC(=N1)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-8(2)4-6-13-11(16)9(3)15-7-5-10(14-15)12(17)18/h5,7-9H,4,6H2,1-3H3,(H,13,16)(H,17,18)/t9-/m0/s1