2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Openeye Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid CAS Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Traditional Name: 2-(2-cyanoethyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid Formula: C13H10FN3O2 MolecularWeight: 259.235803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2)C(=O)O)CCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2)C(=O)O)CCC#N)F

InChI

InChI=1S/C13H10FN3O2/c14-10-4-2-9(3-5-10)11-8-12(13(18)19)17(16-11)7-1-6-15/h2-5,8H,1,7H2,(H,18,19)