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CS-W001157 4
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4-Nitro-1H-pyrazole-3-carbonitrile

  • CAS No. 61241-07-4

  • Cat. No. CS-0063187
  • Purity≥95%
  • MDL No.None

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

4-Nitro-1H-pyrazole-3-carbonitrile|CS-0063187

Structure of 61241-07-4

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General Information

  • CAS No. 61241-07-4
  • Cat. No. CS-0063187
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂N₄O₂
  • Molecular Weight 138.08
  • Synonym(s) NSC360638
  • SMILES N#CC1=NNC=C1[N+]([O-])=O

Description

4-Nitro-1H-pyrazole-3-carbonitrile features a dual functional group motif—electron-deficient nitro and nitrile moieties—enabling strategic incorporation into heterocyclic scaffolds. This bench-stable, moisture-tolerant compound serves as a key building block for bioactive molecules in medicinal chemistry and materials science applications.

Application

4-Nitro-1H-pyrazole-3-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its dual electron-withdrawing nitro and nitrile groups enhance electrophilicity at the pyrazole ring, enabling efficient nucleophilic substitution and transition-metal-catalyzed coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis of functionalized pyrazole derivatives and advanced API scaffolds.

Synthesis

  • Route1

    References

    • Semeraro, Teresa; Mugnaini, Claudia; Manetti, Fabrizio; Pasquini, Serena; Corelli, Federico Tetrahedron, 2008 , vol. 64, # 49 p. 11249 - 11255

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   95.61
  • LogP   0.18958
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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