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CS-W001157 4
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1H-Pyrazole-3-carbaldehyde

  • CAS No. 3920-50-1

  • Cat. No. CS-W004202
  • Molecule weight96.09
  • Purity≥96%
  • MDL No.MFCD00129925

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

1H-Pyrazole-3-carbaldehyde|CS-W004202

Structure of 3920-50-1

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General Information

  • CAS No. 3920-50-1
  • Cat. No. CS-W004202
  • Purity ≥96%
  • MDL No. MFCD00129925
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂O
  • Molecular Weight 96.09
  • Synonym(s) Pyrazole-3-Carbaldehyde
  • SMILES O=CC1=NNC=C1

Description

1H-Pyrazole-3-carbaldehyde features a reactive aldehyde group appended to a heteroaromatic pyrazole core, enabling direct integration into multistep syntheses. This bench-stable scaffold supports efficient derivatization for pharmaceutical intermediates and functional materials, leveraging its electron-deficient ring system for selective coupling reactions.

Application

1H-Pyrazole-3-carbaldehyde serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds. Its aldehyde functionality facilitates imine formation, reductive amination, and Ugi-type reactions, while the adjacent pyrazole ring provides robust stability and moderate electron-withdrawing character. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthetic workflows and library generation.

Synthesis

  • Route1

    References

    • Gregg, Brian T.; Golden, Kathryn C.; Quinn, John F. Journal of Organic Chemistry, 2007 , vol. 72, # 15 p. 5890 - 5893
  • Route2
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    • In-stock
      1H-Pyrazole-3-carbaldehyde|CS-W004202
      3920-50-1

    References

    • Huettel Chemische Berichte, 1941 , vol. 74, p. 1680,1685 Full Text Show Details Huettel et al. Justus Liebigs Annalen der Chemie, 1954 , vol. 585, p. 115,120

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   45.75
  • LogP   0.2222
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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