2-Isopropyl-7-(4-Methyl-1-Piperazinyl)-4-[(5-Methyl-1H-Pyrazol-3-Yl)Amino]-1(2H)-Phthalazinone

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Properties Simple | Detailed

Formula C20H27N7O+
IUPAC Name 2-isopropyl-7-(4-methylpiperazin-1-yl)-4-[(5-methyl-4h-pyrazol-1-ium-4-id-3-yl)amino]phthalazin-1-one
Molecular Mass 381.475 g·mol−1
Heat of Formation 246.6 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 462.9 Å 3
Surface Area 403.39 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-isopropyl-7-(4-methyl-1-piperazinyl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-1-phthalazinone
  • 2-isopropyl-7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]phthalazin-1-one
  • 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-propan-2-yl-phthalazin-1-one
InChIKey VLOGKAVNBJBYON-UHFFFAOYSA-N
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