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CS-W001157 4
Total: USD 88.00

3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile

  • CAS No. 122799-98-8

  • Cat. No. CS-0137253
  • Molecule weight176.22
  • Purity≥98%
  • MDL No.MFCD11040167

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

3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile|CS-0137253

Structure of 122799-98-8

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General Information

  • CAS No. 122799-98-8
  • Cat. No. CS-0137253
  • Purity ≥98%
  • MDL No. MFCD11040167
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₄
  • Molecular Weight 176.22
  • Synonym(s) None
  • SMILES N#CC1=CN(C2CCCC2)N=C1N

Synthesis

  • Route1
    • null|null
      137-43-9
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~63%
    • 5-Amino-1-cyclopentyl-1h-pyrazole-4-carbonitrile|CS-0214906
      30929-67-0
    • In-stock
      3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile|CS-0137253
      122799-98-8

    References

    • US2007/281949 A1, ; Page/Page column 15-16 ;
  • Route2
    • null|null
      137-43-9
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~25%
    • In-stock
      3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile|CS-0137253
      122799-98-8

    References

    • AMBIT BIOSCIENCES CORPORATION; CHAO, Qi; HADD, Michael, J.; HOLLADAY, Mark, W.; ROWBOTTOM, Martin Patent: WO2012/30924 A1, 2012 ; Location in patent: Page/Page column 163-164 ; WO 2012/030924 A1
  • Route3
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~51%
    • In-stock
      3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile|CS-0137253
      122799-98-8

    References

    • Chakrabarti, Jiban K.; Hotten, Terrence M.; Pullar, Ian A.; Tye, Nicholas C. Journal of Medicinal Chemistry, 1989 , vol. 32, # 12 p. 2573 - 2582

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   67.63
  • LogP   1.45208
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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