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

Systemtic Name: 1-[3-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[(1,3-dimethyl-4-pyrazolyl)methylamino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)CCN2C=C(C=N2)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)CCN2C=C(C=N2)C(=O)O)C

InChI

InChI=1S/C13H17N5O3/c1-9-10(7-17(2)16-9)5-14-12(19)3-4-18-8-11(6-15-18)13(20)21/h6-8H,3-5H2,1-2H3,(H,14,19)(H,20,21)