N-[1-(4-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]-4-[2-({[1-(4-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Carbamoyl}Amino)Ethyl]-1-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C36H49N9O2
IUPAC Name n-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-4-[2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]carbamoylamino]ethyl]piperazine-1-carboxamide
Molecular Mass 639.833 g·mol−1
Heat of Formation 63.8 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 800.5 Å 3
Surface Area 692.0 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey DWTWTHMDBSOYDZ-UHFFFAOYSA-N
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