3-Bromo-5-Phenyl-N-(3-Pyridinylmethyl)Pyrazolo[1,5-A]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C18H14BrN5
IUPAC Name 3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
Molecular Mass 380.241 g·mol−1
Heat of Formation 3334.5 ± 16.7 kJ·mol−1
Dipole Moment 15.48 ± 1.08 D
Volume 371.87 Å 3
Surface Area 357.7 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -3.07 ± eV
Point Group Symmetry Cs
Synonyms
  • (3-bromo-5-phenyl-pyrazolo[5,1-b]pyrimidin-7-yl)-(3-pyridylmethyl)amine
  • 3-bromo-5-phenyl-n-(3-pyridylmethyl)-7-pyrazolo[5,1-b]pyrimidinamine
  • 3-bromo-5-phenyl-n-(3-pyridylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
  • 3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
InChIKey SMIZFGZXFDGISG-UHFFFAOYSA-N
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Elements C Br N