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CS-W001157 4
Total: USD 88.00

3,5-Pyrazoledicarboxylic acid

  • CAS No. 3112-31-0

  • Cat. No. CS-D0468
  • Purity≥95%
  • MDL No.MFCD00005235

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

3,5-Pyrazoledicarboxylic acid|CS-D0468

Structure of 3112-31-0

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General Information

  • CAS No. 3112-31-0
  • Cat. No. CS-D0468
  • Purity ≥95%
  • MDL No. MFCD00005235
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₂O₄
  • Molecular Weight 156.10
  • Synonym(s) Pyrazole-3,5-dicarboxylic acid; 3,5-Pyrazoledicarboxylic acid
  • SMILES O=C(O)C1=NNC(=C1)C(=O)O

Description

3,5-Pyrazoledicarboxylic acid features a rigid pyrazole core flanked by two carboxylic acid groups, enabling strong coordination in metal-organic frameworks. This bifunctional architecture supports precise molecular assembly and enhances structural stability in porous materials.

Application

3,5-Pyrazoledicarboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling the construction of bioactive scaffolds through standard condensation and cyclization protocols. Its two carboxylic acid groups provide orthogonal handles for derivatization, while the pyrazole core offers robust stability and defined electronic properties. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns 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   103.28
  • LogP   -0.1939
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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