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CS-W001157 4
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5-Acetyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 1297537-45-1

  • Cat. No. CS-0037190
  • Purity≥98%
  • MDL No.MFCD05864511

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

5-Acetyl-1H-pyrazole-3-carboxylic acid|CS-0037190

Structure of 1297537-45-1

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General Information

  • CAS No. 1297537-45-1
  • Cat. No. CS-0037190
  • Purity ≥98%
  • MDL No. MFCD05864511
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₃
  • Molecular Weight 154.13
  • Synonym(s) 3-Acetyl-1H-pyrazole-5-carboxylic acid
  • SMILES CC(=O)C1=CC(=NN1)C(=O)O

Description

5-Acetyl-1H-pyrazole-3-carboxylic acid integrates a pyrazole core with strategically positioned acetyl and carboxylic acid groups, enabling direct functionalization in heterocyclic synthesis. The electron-deficient pyrazole ring enhances reactivity in coupling reactions, while the acetyl moiety offers a handle for further derivatization. This compound serves as a key intermediate in medicinal chemistry and materials science applications.

Application

5-Acetyl-1H-pyrazole-3-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling the construction of bioactive scaffolds through standard functional group transformations. Its dual electrophilic (acetyl) and nucleophilic (carboxylic acid) sites facilitate coupling reactions, cyclizations, and derivatization under mild conditions. The molecule exhibits good bench stability and ease of purification, making it well-suited for medicinal chemistry campaigns and process development in API synthesis.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   83.05
  • LogP   0.3105
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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