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CS-W001157 4
Total: USD 88.00

3-(4-Fluorophenyl)-1H-pyrazole

  • CAS No. 154258-82-9

  • Cat. No. CS-0037472
  • Purity≥98%
  • MDL No.MFCD00665857

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

3-(4-Fluorophenyl)-1H-pyrazole|CS-0037472

Structure of 154258-82-9

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General Information

  • CAS No. 154258-82-9
  • Cat. No. CS-0037472
  • Purity ≥98%
  • MDL No. MFCD00665857
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FN₂
  • Molecular Weight 162.16
  • Synonym(s) TIMTEC-BB SBB000139
  • SMILES FC1=CC=C(C2=NNC=C2)C=C1

Description

3-(4-Fluorophenyl)-1H-pyrazole is a bench-stable heterocyclic scaffold featuring a fluorinated aryl group that enhances electron-withdrawal and metabolic stability. This compound integrates readily into medicinal chemistry libraries, serving as a key building block for kinase inhibitors and CNS-targeted therapeutics due to its favorable bioavailability and hydrogen-bonding capacity.

Application

3-(4-Fluorophenyl)-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling reactions. Its fluorinated aryl substituent enhances metabolic stability and modulates electronic properties, while the pyrazole core offers robust functional group tolerance and facilitates hydrogen bonding interactions in target binding. The compound exhibits excellent bench stability and is readily purified by crystallization or chromatography, making it ideal for iterative synthesis campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • EP1382603 A1, ; Page 42; 43 ;
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    • In-stock
      3-(4-Fluorophenyl)-1H-pyrazole|CS-0037472
      154258-82-9

    References

    • Levi, Lucilla; Boersch, Christina; Gers, Charlotte F.; Merkul, Eugen; Mueller, Thomas J. J. Molecules, 2011 , vol. 16, # 11 p. 9340 - 9356
  • Route3

    References

    • Molecules, , vol. 16, # 11 p. 9340 - 9356

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.2158
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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