1-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1R)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2R)-1-[(1,3-dimethyl-4-pyrazolyl)methylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1R)-2-[(1,3-dimethylpyrazol-4-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:

CC1=NN(C=C1CNC(=O)C(C)N2C=CC(=N2)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)[C@@H](C)N2C=CC(=N2)C(=O)O)C

InChI

InChI=1S/C13H17N5O3/c1-8-10(7-17(3)15-8)6-14-12(19)9(2)18-5-4-11(16-18)13(20)21/h4-5,7,9H,6H2,1-3H3,(H,14,19)(H,20,21)/t9-/m1/s1