[(5R)-3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [(5R)-3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Openeye Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone IUPAC Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-iodophenyl)methanone Formula: C13H12F3IN2O2 MolecularWeight: 412.14626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCC1=NN([C@@](C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H12F3IN2O2/c1-2-10-7-12(21,13(14,15)16)19(18-10)11(20)8-3-5-9(17)6-4-8/h3-6,21H,2,7H2,1H3/t12-/m1/s1