3-Bromo-5-Phenyl-N-(4-Pyridinylmethyl)Pyrazolo[1,5-A]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C18H14BrN5
IUPAC Name 3-bromo-5-phenyl-n-(4-pyridylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Molecular Mass 380.241 g·mol−1
Heat of Formation 615.2 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 387.7 Å 3
Surface Area 355.53 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (3-bromo-5-phenyl-pyrazolo[5,1-b]pyrimidin-7-yl)-(4-pyridylmethyl)amine
  • 3-bromo-5-phenyl-n-(4-pyridylmethyl)-7-pyrazolo[5,1-b]pyrimidinamine
  • 3-bromo-5-phenyl-n-(4-pyridylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine
InChIKey JECHSYMSTXETFI-UHFFFAOYSA-N
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Elements H C Br N