3-(4-Fluorophenyl)-2-(6-Methyl-2-Pyridinyl)-5,6-Dihydro-4H-Pyrrolo[1,2-B]Pyrazole

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Properties Simple | Detailed

Formula C18H16FN3
IUPAC Name 3-(4-fluorophenyl)-2-(6-methyl-2-pyridyl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
Molecular Mass 293.338 g·mol−1
Heat of Formation 204.1 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 354.28 Å 3
Surface Area 309.18 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-fluorophenyl)-2-(6-methyl-2-pyridyl)-5,6-dihydro-4h-pyrrolo[2,1-e]pyrazole
  • 3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
  • 3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[2,1-e]pyrazole
InChIKey NBDZLUOYAAVYHF-UHFFFAOYSA-N
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Elements H C F N