5-(3-methylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

Systemtic Name: 5-(3-methylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid Openeye Name: 5-(3-methylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid CAS Name: 5-(3-methyl-1-oxobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid IUPAC Name: 5-(3-methylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid Traditional Name: 5-isovaleryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=C(C1)C(=NN2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC2=C(C1)C(=NN2)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-7(2)5-10(16)15-4-3-9-8(6-15)11(12(17)18)14-13-9/h7H,3-6H2,1-2H3,(H,13,14)(H,17,18)