1-Methyl-3-[1-Methyl-5-(4-Methylphenyl)-1H-Pyrazol-4-Yl]-4-[(3S)-3-(1-Piperidinyl)-1-Pyrrolidinyl]-1H-Pyrazolo[3,4-D]Pyrimidine

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Properties Simple | Detailed

Formula C26H32N8
IUPAC Name 1-methyl-3-[1-methyl-5-(p-tolyl)pyrazol-1-ium-2-id-4-yl]-4-[(3s)-3-(1-piperidyl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-1-ium-4-ylium
Molecular Mass 456.586 g·mol−1
Heat of Formation 3747.6 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 456.03 Å 3
Surface Area 343.9 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry C1
InChIKey WDWIMDKOXZZYHH-FQEVSTJZSA-N
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Elements C N