1-[2-[3-(5-methylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[3-(5-methylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[3-(5-methylpyrazol-1-yl)propylamino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[3-(5-methyl-1-pyrazolyl)propylamino]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[3-(5-methylpyrazol-1-yl)propylamino]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-[3-(5-methylpyrazol-1-yl)propylamino]ethyl]pyrazole-4-carboxylic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCCNC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

CC1=CC=NN1CCCNC(=O)CN2C=C(C=N2)C(=O)O

InChI

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