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CS-W001157 4
Total: USD 88.00

4-(tert-Butyl)-1H-pyrazole

  • CAS No. 105285-21-0

  • Cat. No. CS-W004186
  • Purity≥95%
  • MDL No.MFCD11847492

*For research and further manufacturing use only, not for direct human use.

4-(tert-Butyl)-1H-pyrazole|CS-W004186

Structure of 105285-21-0

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General Information

  • CAS No. 105285-21-0
  • Cat. No. CS-W004186
  • Purity ≥95%
  • MDL No. MFCD11847492
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂
  • Molecular Weight 124.18
  • Synonym(s) 4-tert-butyl-1H-pyrazole
  • SMILES CC(c1c[nH]nc1)(C)C

Description

4-(tert-Butyl)-1H-pyrazole is a sterically hindered heterocycle featuring a robust pyrazole core with a bulky tert-butyl group at the 4-position. This substitution enhances stability and modulates solubility, enabling efficient integration into complex molecular architectures. The compound serves as a key scaffold in medicinal chemistry and materials science.

Application

4-(tert-Butyl)-1H-pyrazole serves as a robust heterocyclic building block in medicinal chemistry and materials science, offering enhanced solubility and metabolic stability due to the sterically hindered tert-butyl group. It functions as a versatile scaffold for late-stage functionalization, enabling direct C–H arylation and transition-metal-catalyzed couplings. The pyrazole core exhibits strong hydrogen-bonding capacity and π-stacking potential, making it valuable in targeted small-molecule design. Its bench-stable, crystalline nature facilitates handling and purification, supporting scalable synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.7072
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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