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CS-W001157 4
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1H-Pyrazole-4-carbonitrile

  • CAS No. 31108-57-3

  • Cat. No. CS-W007650
  • Purity≥95%
  • MDL No.MFCD00040250

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

1H-Pyrazole-4-carbonitrile|CS-W007650

Structure of 31108-57-3

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General Information

  • CAS No. 31108-57-3
  • Cat. No. CS-W007650
  • Purity ≥95%
  • MDL No. MFCD00040250
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃N₃
  • Molecular Weight 93.09
  • Synonym(s) 4-Cyanopyrazole
  • SMILES C(#N)C1=C[NH]N=C1

Description

1H-Pyrazole-4-carbonitrile features a pyrazole ring with a nitrile group at the 4-position, delivering high stability and enhanced solubility in polar solvents. This electron-deficient heterocycle integrates readily into pharmaceutical scaffolds and serves as a key building block for bioactive molecules.

Application

1H-Pyrazole-4-carbonitrile serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to functionalized heterocycles. The nitrile group facilitates nucleophilic addition, amidation, and cyclization reactions, while the pyrazole core provides structural rigidity and hydrogen-bonding capacity. Its bench-stable nature and compatibility with common coupling conditions make it well-suited for modular synthesis of API candidates and kinase inhibitors.

Synthesis

  • Route1
    • null|null
      149139-41-3
    • ~56%
    • In-stock
      1H-Pyrazole-4-carbonitrile|CS-W007650
      31108-57-3

    References

    • Jachak, Madhukar; Kriessmann, Ulrike; Mittelbach, Martin; Junek, Hans Monatshefte fuer Chemie, 1993 , vol. 124, p. 199 - 208

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   52.47
  • LogP   0.28138
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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