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CS-W001157 4
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3-(Tert-butyl)-1H-pyrazole

  • CAS No. 15802-80-9

  • Cat. No. CS-0043476
  • Purity≥97%
  • MDL No.MFCD00127337

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

3-(Tert-butyl)-1H-pyrazole|CS-0043476

Structure of 15802-80-9

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General Information

  • CAS No. 15802-80-9
  • Cat. No. CS-0043476
  • Purity ≥97%
  • MDL No. MFCD00127337
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂
  • Molecular Weight 124.18
  • Synonym(s) 3-tert-butyl-1H-pyrazole
  • SMILES CC(C1=NNC=C1)(C)C

Description

3-(Tert-butyl)-1H-pyrazole is a sterically hindered pyrazole derivative featuring a bulky tert-butyl group at the 3-position. This substitution enhances stability and modulates electronic properties, making the compound valuable in medicinal chemistry and agrochemical synthesis. The molecule exhibits favorable solubility in organic solvents and maintains integrity under standard bench conditions.

Application

3-(Tert-butyl)-1H-pyrazole serves as a robust heterocyclic building block in medicinal chemistry, offering enhanced stability and solubility due to the sterically protected tert-butyl group. It functions as a versatile scaffold for constructing bioactive molecules, enabling efficient derivatization at the 1- and 3-positions via standard coupling and functionalization protocols. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis and scale-up applications.

Safety Information

Download SDS
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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