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CS-W001157 4
Total: USD 88.00

1-Ethyl-1H-pyrazole-4-carboxylic acid

  • CAS No. 400858-54-0

  • Cat. No. CS-0054997
  • Molecule weight140.14
  • Purity≥98%
  • MDL No.None

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

1-Ethyl-1H-pyrazole-4-carboxylic acid|CS-0054997

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General Information

  • CAS No. 400858-54-0
  • Cat. No. CS-0054997
  • Purity ≥98%
  • MDL No. None
  • 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,1-ethyl-(9CI)
  • SMILES O=C(C1=CN(CC)N=C1)O

Description

1-Ethyl-1H-pyrazole-4-carboxylic acid features a pyrazole core with a carboxylic acid at the 4-position and an ethyl substituent at nitrogen-1, delivering enhanced solubility and metabolic stability. This scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitors and heterocyclic drug candidates.

Application

1-Ethyl-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based heterocycles via standard coupling and cyclization protocols. The carboxylic acid functionality facilitates direct amide formation, esterification, or activation for peptide-like linkages, while the ethyl substituent enhances solubility and modulates electronic properties. Its bench-stable nature and compatibility with common reaction conditions make it well-suited for modular synthesis of bioactive scaffolds.

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   0.6012
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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