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CS-W001157 4
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3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile

  • CAS No. 207909-05-5

  • Cat. No. CS-0518714
  • Purity≥98%
  • MDL No.None

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

3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile|CS-0518714

Structure of 207909-05-5

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General Information

  • CAS No. 207909-05-5
  • Cat. No. CS-0518714
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N₃
  • Molecular Weight 183.21
  • Synonym(s) None
  • SMILES N#CC1=CC=CC(C2=NN(C)C=C2)=C1

Synthesis

  • Route1
    • 3-(3-(Dimethylamino)acryloyl)benzonitrile|CS-0521690
      179055-13-1
    • null|null
      60-34-4
    • ~59%
    • 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile|CS-0518714
      207909-05-5
    • 3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile|CS-0336767
      179055-95-9

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 13 p. 2390 - 2410
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 13 p. 2390 - 2410

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   1.95878
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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