3-Tert-Butyl-1-Propyl-5-{[2'-(2H-Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl}-1H-Pyrazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C25H28N6O2
IUPAC Name 3-tert-butyl-1-propyl-5-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
Molecular Mass 444.529 g·mol−1
Heat of Formation 117.7 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 541.31 Å 3
Surface Area 430.89 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3-tert-butyl-1-propyl-5-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]pyrazole-4-carboxylic acid
  • 3-tert-butyl-1-propyl-5-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
  • 3-tert-butyl-1-propyl-5-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid
InChIKey BQHRGPUDARSBJA-UHFFFAOYSA-N
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