3-(4-Methoxy-2-Methylphenyl)-2,5-Dimethyl-N-(3-Pentanyl)Pyrazolo[1,5-A]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C21H28N4O
IUPAC Name n-(1-ethylpropyl)-3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine
Molecular Mass 352.473 g·mol−1
Heat of Formation 36.2 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 453.71 Å 3
Surface Area 396.74 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethylpropyl-[3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-pyrazolo[5,1-b]pyrimidin-7-yl]amine
  • 3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-n-pentan-3-yl-pyrazolo[5,1-b]pyrimidin-7-amine
  • 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-n-pentan-3-ylpyrazolo[5,1-b]pyrimidin-7-amine
  • n-(1-ethylpropyl)-3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-pyrazolo[5,1-b]pyrimidin-7-amine
  • n-(1-ethylpropyl)-3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-7-pyrazolo[5,1-b]pyrimidinamine
  • pdsp1_001297
  • pdsp2_001281
InChIKey QBBJSFUFEUXTNU-UHFFFAOYSA-N
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