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3-tert-Butyl-1-methylpyrazole-5-carboxylic Acid

  • CAS No. 175277-11-9

  • Cat. No. CS-0154881
  • Purity≥98%
  • MDL No.MFCD00173812

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

3-tert-Butyl-1-methylpyrazole-5-carboxylic Acid|CS-0154881

Structure of 175277-11-9

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General Information

  • CAS No. 175277-11-9
  • Cat. No. CS-0154881
  • Purity ≥98%
  • MDL No. MFCD00173812
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₂
  • Molecular Weight 182.22
  • Synonym(s) BUTTPARK 52\11-22
  • SMILES CC(C)(C)C1=NN(C)C(=C1)C(=O)O

Description

3-tert-Butyl-1-methylpyrazole-5-carboxylic acid features a sterically hindered pyrazole core with complementary electron-donating methyl and tert-butyl groups, enhancing stability and solubility in polar organic media. This carboxylic acid serves as a robust scaffold for bioactive molecule synthesis and functional material design under standard bench conditions.

Application

3-tert-Butyl-1-methylpyrazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of pyrazole-based scaffolds through standard coupling and functionalization reactions. Its carboxylic acid group facilitates amide bond formation, while the tert-butyl and methyl substituents provide steric bulk and metabolic stability. The molecule exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis campaigns in API development.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.4158
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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