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1-Isopropyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 920006-32-2

  • Cat. No. CS-0135510
  • Purity≥96%
  • MDL No.MFCD03130043

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

1-Isopropyl-1H-pyrazole-5-carboxylic acid|CS-0135510

Structure of 920006-32-2

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General Information

  • CAS No. 920006-32-2
  • Cat. No. CS-0135510
  • Purity ≥96%
  • MDL No. MFCD03130043
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) None
  • SMILES O=C(C1=CC=NN1C(C)C)O

Description

1-Isopropyl-1H-pyrazole-5-carboxylic acid features a pyrazole core functionalized with a carboxylic acid at the 5-position and a sterically hindered isopropyl group at the 1-position. This combination imparts enhanced solubility in organic solvents and improved metabolic stability, making it well-suited for use in medicinal chemistry scaffolds and peptide conjugation strategies.

Application

1-Isopropyl-1H-pyrazole-5-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling the construction of pyrazole-based scaffolds relevant to medicinal chemistry. The carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions, while the isopropyl group provides steric bulk and enhanced metabolic stability. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for iterative library synthesis and process-scale 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   55.12
  • LogP   1.1622
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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