1-(2-cyanoethyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-5-isopropyl-pyrazole-4-carboxylic acid Formula: C10H13N3O2 MolecularWeight: 207.22912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1CCC#N)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=NN1CCC#N)C(=O)O

InChI

InChI=1S/C10H13N3O2/c1-7(2)9-8(10(14)15)6-12-13(9)5-3-4-11/h6-7H,3,5H2,1-2H3,(H,14,15)