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

Systemtic Name: 5-azanyl-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Openeye Name: 5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylic acid CAS Name: 5-amino-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Traditional Name: 5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Formula: C7H8N4O2 MolecularWeight: 180.16402

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=C1C(=O)O)N)CCC#N

Isomeric SMILES

C1=NN(C(=C1C(=O)O)N)CCC#N

InChI

InChI=1S/C7H8N4O2/c8-2-1-3-11-6(9)5(4-10-11)7(12)13/h4H,1,3,9H2,(H,12,13)