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CS-W001157 4
Total: USD 88.00

5-Amino-1-benzyl-1h-pyrazole-4-carbonitrile

  • CAS No. 91091-13-3

  • Cat. No. CS-0245738
  • Purity95+%
  • MDL No.None

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

5-Amino-1-benzyl-1h-pyrazole-4-carbonitrile|CS-0245738

Structure of 91091-13-3

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General Information

  • CAS No. 91091-13-3
  • Cat. No. CS-0245738
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₄
  • Molecular Weight 198.22
  • Synonym(s) 5-AMINO-1- BENZYL-1H-PYRAZOLE-4-CARBONITRILE
  • SMILES C1=CC=C(C=C1)CN2C(=C(C#N)C=N2)N

Synthesis

  • Route1
    • null|null
      100-44-7
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~%
    • 5-Amino-1-benzyl-1h-pyrazole-4-carbonitrile|CS-0245738
      91091-13-3
    • 3-Amino-1-benzyl-1h-pyrazole-4-carbonitrile|CS-0692092
      122800-01-5

    References

    • WO2012/30924 A1, ; Page/Page column 147 ; WO 2012/030924 A1
  • Route2

    References

    • Kelley; Davis; McLean; Glen; Soroko; Cooper Journal of Medicinal Chemistry, 1995 , vol. 38, # 19 p. 3884 - 3888
  • Route3
    • null|null
      100-44-7
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~%
    • 5-Amino-1-benzyl-1h-pyrazole-4-carbonitrile|CS-0245738
      91091-13-3

    References

    • Synlett, , # 1 art. no. U27905ST, p. 65 - 68

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.63
  • LogP   1.38528
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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