1-(3-cyanopropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-cyanopropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyanopropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-cyanopropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyanopropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyanopropyl)pyrazole-4-carboxylic acid Formula: C8H9N3O2 MolecularWeight: 179.17596

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCCC#N)C(=O)O

Isomeric SMILES

C1=C(C=NN1CCCC#N)C(=O)O

InChI

InChI=1S/C8H9N3O2/c9-3-1-2-4-11-6-7(5-10-11)8(12)13/h5-6H,1-2,4H2,(H,12,13)