3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1-propanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]propan-1-one Formula: C12H14BrF3N4O2 MolecularWeight: 383.16437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)N2C(CC=N2)(C(F)(F)F)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2[C@](CC=N2)(C(F)(F)F)O)C)Br

InChI

InChI=1S/C12H14BrF3N4O2/c1-7-10(13)8(2)19(18-7)6-3-9(21)20-11(22,4-5-17-20)12(14,15)16/h5,22H,3-4,6H2,1-2H3/t11-/m0/s1