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CS-W001157 4
Total: USD 88.00

3,5-Diamino-1H-pyrazole-4-carbonitrile

  • CAS No. 6844-58-2

  • Cat. No. CS-W021806
  • Purity≥95%
  • MDL No.MFCD14705994

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

3,5-Diamino-1H-pyrazole-4-carbonitrile|CS-W021806

Structure of 6844-58-2

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General Information

  • CAS No. 6844-58-2
  • Cat. No. CS-W021806
  • Purity ≥95%
  • MDL No. MFCD14705994
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₅
  • Molecular Weight 123.12
  • Synonym(s) None
  • SMILES N#CC1=C(N)NN=C1N

Description

3,5-Diamino-1H-pyrazole-4-carbonitrile features a fused heterocyclic core bearing two amino groups and a nitrile functionality, enabling versatile conjugation in synthetic applications. This electron-rich scaffold integrates readily into bioactive molecule frameworks, offering enhanced solubility and stability under standard conditions.

Application

3,5-Diamino-1H-pyrazole-4-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling the construction of pyrazole-based scaffolds through standard coupling and cyclization protocols. Its dual amine functionality and nitrile group offer orthogonal reactivity for derivatization, while its bench-stable crystalline form facilitates handling and purification in medicinal chemistry workflows.

Synthesis

  • Route1
    • 5-Amino-3-chloro-4-isothiazolecarbonitrile|CS-0694351
      3889-68-7
    • ~81%
    • In-stock
      3,5-Diamino-1H-pyrazole-4-carbonitrile|CS-W021806
      6844-58-2

    References

    • Ioannidou, Heraklidia A.; Koutentis, Panayiotis A. Tetrahedron, 2009 , vol. 65, # 34 p. 7023 - 7037
  • Route2
    • null|null
      3866-31-7
    • ~86%
    • In-stock
      3,5-Diamino-1H-pyrazole-4-carbonitrile|CS-W021806
      6844-58-2
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2

    References

    • Ioannidou, Heraklidia A.; Koutentis, Panayiotis A. Tetrahedron, 2009 , vol. 65, # 34 p. 7023 - 7037
  • Route3
    • 2-(Amino(methylthio)methylene)malononitrile|CS-0303845
      18071-20-0
    • ~71%
    • In-stock
      3,5-Diamino-1H-pyrazole-4-carbonitrile|CS-W021806
      6844-58-2

    References

    • Ried, W.; Aboul-Fetouh, S. Tetrahedron, 1988 , vol. 44, # 23 p. 7155 - 7162

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

Quality Control

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Computational Chemistry Data

  • TPSA   104.51
  • LogP   -0.55422
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   0

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