1-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)CCN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H17N5O3/c1-16(7-10-5-14-17(2)8-10)12(19)3-4-18-9-11(6-15-18)13(20)21/h5-6,8-9H,3-4,7H2,1-2H3,(H,20,21)