1-[3-oxidanylidene-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-oxidanylidene-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-oxo-3-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propyl]pyrazole-4-carboxylic acid Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=O)CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=O)CCN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C14H19N5O3/c1-9-12(10(2)18(3)17-9)7-15-13(20)4-5-19-8-11(6-16-19)14(21)22/h6,8H,4-5,7H2,1-3H3,(H,15,20)(H,21,22)