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

  • CAS No. 68703-67-3

  • Cat. No. CS-W019204
  • Purity≥95%
  • MDL No.MFCD00619110

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

4-Amino-1H-pyrazole-3-carbonitrile|CS-W019204

Structure of 68703-67-3

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General Information

  • CAS No. 68703-67-3
  • Cat. No. CS-W019204
  • Purity ≥95%
  • MDL No. MFCD00619110
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₄
  • Molecular Weight 108.10
  • Synonym(s) 1H-PYRAZOLE-3-CARBONITRILE, 4-AMINO-
  • SMILES N#CC1=NNC=C1N

Description

4-Amino-1H-pyrazole-3-carbonitrile features a conjugated pyrazole core bearing both amino and nitrile functionalities, enabling versatile participation in transition-metal-catalyzed couplings and heterocyclic elaboration. The electron-rich amine group facilitates nucleophilic addition, while the carbonitrile acts as an electrophilic anchor for derivatization under mild conditions. This bifunctional scaffold supports efficient access to bioactive nitrogen-containing architectures.

Application

4-Amino-1H-pyrazole-3-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based heterocycles. Its dual functional groups—primary amine and nitrile—facilitate diverse downstream transformations, including amidation, cyclization, and metal-catalyzed coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scale-up and routine synthesis workflows.

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

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Computational Chemistry Data

  • TPSA   78.49
  • LogP   -0.13642
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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