3-(4-Fluorophenyl)-6,7-Dimethyl-2-(4-Methylsulfonylphenyl)Pyrazolo(1,5-A)Pyrimidine

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Properties Simple | Detailed

Formula C21H19FN3O2S+
IUPAC Name 3-(4-fluorophenyl)-6,7-dimethyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-8-ium
Molecular Mass 396.458 g·mol−1
Heat of Formation -74.7 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 447.33 Å 3
Surface Area 387.3 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-fluorophenyl)-2-(4-mesylphenyl)-6,7-dimethyl-pyrazolo[1,5-a]pyrimidine
InChIKey WHGZGEFGZXHTST-UHFFFAOYSA-N
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