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CS-W001157 4
Total: USD 88.00

3,5-dimethyl-1H-pyrazole-4-carboxylic acid

  • CAS No. 113808-86-9

  • Cat. No. CS-W000801
  • Molecule weight140.14
  • Purity≥98%
  • MDL No.MFCD00159642

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

3,5-dimethyl-1H-pyrazole-4-carboxylic acid|CS-W000801

Structure of 113808-86-9

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General Information

  • CAS No. 113808-86-9
  • Cat. No. CS-W000801
  • Purity ≥98%
  • MDL No. MFCD00159642
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) 1H-Pyrazole-4-carboxylicacid,3,5-dimethyl-(9CI)
  • SMILES Cc1n[nH]c(C)c1C(O)=O

Description

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid features a sterically hindered pyrazole core with electron-rich substituents, enabling robust integration into bioactive scaffolds. The carboxylic acid moiety provides a versatile handle for coupling reactions, while the methyl groups enhance metabolic stability and solubility under standard conditions.

Application

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles via standard coupling and cyclization protocols. Its pyrazole core exhibits favorable bench stability and functional group tolerance, facilitating straightforward derivatization for drug discovery applications. The carboxylic acid moiety supports direct amide formation or esterification, enhancing its utility in constructing diverse scaffolds.

Synthesis

  • Route1

    References

    • Montoro, Carmen; Linares, Fatima; Quartapelle Procopio, Elsa; Senkovska, Irena; Kaskel, Stefan; Galli, Simona; Masciocchi, Norberto; Barea, Elisa; Navarro, Jorge A. R. Journal of the American Chemical Society, 2011 , vol. 133, # 31 p. 11888 - 11891
  • Route2

    References

    • Zeitschrift fur Physikalische Chemie, , vol. 227, # 6-7 p. 841 - 856

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   65.98
  • LogP   0.72474
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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