1-[4-({4-[(5-Cyclopentyl-1H-Pyrazol-3-Yl)Amino]-2-Pyrimidinyl}Amino)Phenyl]-3-[3-(Trifluoromethyl)Phenyl]Urea

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Formula C26H25F3N8O
IUPAC Name 1-[4-[[4-[(5-cyclopentylpyrazol-1-ium-2-id-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular Mass 522.525 g·mol−1
Heat of Formation -319.3 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 581.31 Å 3
Surface Area 521.8 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey GBMIFBVLJSCVJT-UHFFFAOYSA-N
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