1-(cyanomethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(cyanomethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(cyanomethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-(cyanomethyl)-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(cyanomethyl)-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(cyanomethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C8H9N3O2 MolecularWeight: 179.17596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC#N)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC#N)C)C(=O)O

InChI

InChI=1S/C8H9N3O2/c1-5-7(8(12)13)6(2)11(10-5)4-3-9/h4H2,1-2H3,(H,12,13)