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

Systemtic Name: 1-[(2S)-1-[(2-ethylpyrazol-3-yl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-[(2-ethylpyrazol-3-yl)methylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-[(2-ethyl-3-pyrazolyl)methylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[(2-ethylpyrazol-3-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-[(2-ethylpyrazol-3-yl)methylamino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)CNC(=O)C(C)N2C=CC(=N2)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)CNC(=O)[C@H](C)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C13H17N5O3/c1-3-17-10(4-6-15-17)8-14-12(19)9(2)18-7-5-11(16-18)13(20)21/h4-7,9H,3,8H2,1-2H3,(H,14,19)(H,20,21)/t9-/m0/s1