1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C8H9N3O2 MolecularWeight: 179.17596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC#N)C(=O)O

Isomeric SMILES

CC1=C(C=NN1CCC#N)C(=O)O

InChI

InChI=1S/C8H9N3O2/c1-6-7(8(12)13)5-10-11(6)4-2-3-9/h5H,2,4H2,1H3,(H,12,13)