6-Benzyl-1-Isopropyl-1,2-Dihydro-4H-Pyrazolo[3,4-D]Pyrimidin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C15H23N4O+
IUPAC Name 6-benzyl-1-isopropyl-2,3-dihydropyrazolo[3,4-d]pyrimidine-3,3a,5,6,7,7a-hexaid-4-one
Molecular Mass 275.369 g·mol−1
Heat of Formation 228.8 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 327.65 Å 3
Surface Area 281.07 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isopropyl-4-hydroxy-6-benzylpyrazolo(3,4-d)pyrimidine
  • 1-isopropyl-6-(phenylmethyl)-2h-pyrazolo[4,5-e]pyrimidin-4-one
  • 4h-pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-1-(1-methylethyl)-6-(phenylmethyl)-
  • 6-(benzyl)-1-isopropyl-2h-pyrazolo[4,5-e]pyrimidin-4-one
  • 6-(phenylmethyl)-1-propan-2-yl-2h-pyrazolo[4,5-e]pyrimidin-4-one
  • ab-323/13887489
  • oprea1_080730
CAS Number(s)
  • 5494-84-8
InChIKey MJVRCGQITFKTBE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N