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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde

  • CAS No. 1001020-14-9

  • Cat. No. CS-0018769
  • Molecule weight164.09
  • Purity≥95%
  • MDL No.MFCD07375188

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

3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde|CS-0018769

Structure of 1001020-14-9

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General Information

  • CAS No. 1001020-14-9
  • Cat. No. CS-0018769
  • Purity ≥95%
  • MDL No. MFCD07375188
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃F₃N₂O
  • Molecular Weight 164.09
  • Synonym(s) 5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
  • SMILES O=CC1=CNN=C1C(F)(F)F

Description

3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde features a trifluoromethyl group flanking an aldehyde-functionalized pyrazole core, delivering enhanced electron-withdrawing character and improved metabolic stability. This combination enables efficient coupling in transition-metal-catalyzed transformations and facilitates incorporation into bioactive scaffolds requiring polar, lipophilic moieties. The molecule exhibits robust bench stability under standard conditions, simplifying handling in synthetic workflows.

Application

3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling direct incorporation of a trifluoromethyl group adjacent to a reactive aldehyde for downstream functionalization. The aldehyde functionality facilitates efficient reductive amination, condensation, and coupling reactions, while the pyrazole core provides metabolic stability and hydrogen-bonding capacity. Bench-stable and compatible with standard purification methods, it functions reliably in multi-step synthesis workflows targeting bioactive heterocycles.

Synthesis

  • Route1
    • In-stock
      (3-Trifluoromethyl-1H-pyrazol-4-yl)methanol|CS-W003881
      1001020-13-8
    • ~99%
    • In-stock
      3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde|CS-0018769
      1001020-14-9

    References

    • N.V. Organon Patent: US2009/131455 A1, 2009 ; Location in patent: Page/Page column 8 ; US 20090131455 A1

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   1.241
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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