3-(1-Methyl-1H-Pyrazol-4-Yl)-N-(3-Methyl-1,2-Thiazol-5-Yl)-5-[(3R)-3-Piperidinyl]Pyrazolo[1,5-A]Pyrimidin-7-Amine

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Properties Simple | Detailed

Formula C19H23N8S
IUPAC Name 3-methyl-n-[3-(1-methylpyrazol-1-ium-2-id-4-yl)-5-[(3r)-3-piperidyl]pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-yl]isothiazol-5-amine
Molecular Mass 395.505 g·mol−1
Heat of Formation 647.1 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 458.66 Å 3
Surface Area 406.01 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey GZPYWHILDNLCNY-CYBMUJFWSA-N
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Elements H S C N