3-(3-Aminophenyl)-N-(3-Chlorophenyl)Pyrazolo[1,5-A]Pyrimidin-5-Amine

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Properties Simple | Detailed

Formula C18H14ClN5
IUPAC Name 3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
Molecular Mass 335.790 g·mol−1
Heat of Formation 2934.9 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 383.83 Å 3
Surface Area 339.63 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -3.58 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-aminophenyl)-n-(3-chlorophenyl)-5-pyrazolo[1,5-a]pyrimidinamine
  • 3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
  • [3-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(3-chlorophenyl)amine
  • k00522
InChIKey JDNMRPIWJIDDAY-UHFFFAOYSA-N
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Elements C N Cl