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CS-W001157 4
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1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde

  • CAS No. 890652-03-6

  • Cat. No. CS-0132409
  • Purity≥98%
  • MDL No.MFCD05864516

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

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde|CS-0132409

Structure of 890652-03-6

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General Information

  • CAS No. 890652-03-6
  • Cat. No. CS-0132409
  • Purity ≥98%
  • MDL No. MFCD05864516
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇FN₂O
  • Molecular Weight 190.17
  • Synonym(s) Albb-009324
  • SMILES O=CC1=CN(C2=CC=C(F)C=C2)N=C1

Description

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde features a fluorinated phenyl ring linked to a pyrazole core bearing an aldehyde functional group. This electron-deficient scaffold enables direct coupling in transition-metal-catalyzed reactions and serves as a key building block for bioactive heterocycles. The compound exhibits enhanced metabolic stability and solubility under standard bench conditions, facilitating integration into medicinal chemistry campaigns.

Application

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling the synthesis of heterocyclic scaffolds through standard condensation and coupling reactions. The aldehyde functionality facilitates efficient derivatization via reductive amination, Grignard additions, or Wittig transformations, while the fluorinated aryl group enhances metabolic stability and modulates electronic properties. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses targeting bioactive molecules.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.8239
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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