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CS-W001157 4
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1-(1H-Pyrazol-4-yl)ethanone

  • CAS No. 25016-16-4

  • Cat. No. CS-0044097
  • Purity≥98%
  • MDL No.MFCD09878739

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

1-(1H-Pyrazol-4-yl)ethanone|CS-0044097

Structure of 25016-16-4

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General Information

  • CAS No. 25016-16-4
  • Cat. No. CS-0044097
  • Purity ≥98%
  • MDL No. MFCD09878739
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O
  • Molecular Weight 110.11
  • Synonym(s) Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)
  • SMILES CC(=O)C1=CNN=C1

Description

1-(1H-Pyrazol-4-yl)ethanone features a pyrazole ring fused to an acetyl group, delivering a versatile scaffold for medicinal chemistry. This bench-stable ketone integrates readily into heterocyclic systems, offering high solubility in common organic solvents and compatibility with standard coupling protocols.

Application

1-(1H-Pyrazol-4-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds through standard functional group transformations. Its acetophenone-like reactivity facilitates nucleophilic additions, condensations, and metal-catalyzed couplings. The molecule exhibits good bench stability and ease of purification, making it well-suited for iterative synthesis campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • Heinisch, Gottfried; Holzer, Wolfgang; Obala, Claudia Monatshefte fuer Chemie, 1988 , vol. 119, p. 253 - 262
  • Route2
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      116228-44-5
    • ~%
    • In-stock
      1-(1H-Pyrazol-4-yl)ethanone|CS-0044097
      25016-16-4

    References

    • Monatshefte fuer Chemie, , vol. 119, p. 253 - 262

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

Quality Control

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   0.6123
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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