5-chloranyl-1-(2-cyanoethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(2-cyanoethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(2-cyanoethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-cyanoethyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-cyanoethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(2-cyanoethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C8H5ClF3N3O2 MolecularWeight: 267.59241

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Descriptors Computed from Structure

Canonical SMILES:

C(CN1C(=C(C(=N1)C(F)(F)F)C(=O)O)Cl)C#N

Isomeric SMILES

C(CN1C(=C(C(=N1)C(F)(F)F)C(=O)O)Cl)C#N

InChI

InChI=1S/C8H5ClF3N3O2/c9-6-4(7(16)17)5(8(10,11)12)14-15(6)3-1-2-13/h1,3H2,(H,16,17)