1-[3-[(2-ethylpyrazol-3-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[(2-ethylpyrazol-3-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[(2-ethylpyrazol-3-yl)methylamino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[(2-ethyl-3-pyrazolyl)methylamino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[(2-ethylpyrazol-3-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[(2-ethylpyrazol-3-yl)methylamino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)CNC(=O)CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)CNC(=O)CCN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H17N5O3/c1-2-18-11(3-5-15-18)8-14-12(19)4-6-17-9-10(7-16-17)13(20)21/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,19)(H,20,21)