5-chloranyl-3-ethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-3-ethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid CAS Name: 5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-3-ethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid Formula: C12H9ClF3N3O2 MolecularWeight: 319.66697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)Cl)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)Cl)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H9ClF3N3O2/c1-2-7-9(11(20)21)10(13)19(18-7)8-4-3-6(5-17-8)12(14,15)16/h3-5H,2H2,1H3,(H,20,21)