1-(2-Chlorophenyl)-6-[(2R)-3,3,3-Trifluoro-2-Methylpropyl]-1,2-Dihydro-4H-Pyrazolo[3,4-D]Pyrimidin-4-One

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Formula C15H12ClF3N4O
IUPAC Name 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methyl-propyl]pyrazolo[3,4-d]pyrimidine-1,2,5,7-tetraium-4-one
Molecular Mass 356.730 g·mol−1
Heat of Formation -437.9 ± 16.7 kJ·mol−1
Dipole Moment 10.48 ± 1.08 D
Volume 374.25 Å 3
Surface Area 327.06 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methyl-propyl]-2h-pyrazolo[4,5-e]pyrimidin-4-one
  • 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidine-4-one
  • 1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-2h-pyrazolo[4,5-e]pyrimidin-4-one
  • bay 73-6691
InChIKey WDJDFFUFZOPSJA-MRVPVSSYSA-N
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