2-[(3,5-Dimethoxyphenyl)Amino]-5-Ethyl-7-[(2R)-2-(Hydroxymethyl)-1-Pyrrolidinyl]Pyrazolo[1,5-A]Pyrimidine-3-Carboxamide

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Properties Simple | Detailed

Formula C22H29N6O4
IUPAC Name 2-(3,5-dimethoxyanilino)-5-ethyl-7-[(1s,2s)-2-methylaziridin-1-yl]pyrazolo[1,5-a]pyrimidin-4-ium-3-ide-3-carboxamide; ethenol; hydron
Molecular Mass 443.519 g·mol−1
Heat of Formation -30.0 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 550.25 Å 3
Surface Area 460.31 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey ITADTXCJWWSRJO-OAHLLOKOSA-N
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