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

Systemtic Name: (4-iodophenyl)-[(5R)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone IUPAC Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-iodophenyl)methanone Formula: C12H10F3IN2O2 MolecularWeight: 398.11968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=NN([C@@](C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H10F3IN2O2/c1-7-6-11(20,12(13,14)15)18(17-7)10(19)8-2-4-9(16)5-3-8/h2-5,20H,6H2,1H3/t11-/m1/s1