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1-Benzyl-1H-pyrazol-3-amine

  • CAS No. 21377-09-3

  • Cat. No. CS-0122664
  • Purity≥98%
  • MDL No.MFCD03422517

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

1-Benzyl-1H-pyrazol-3-amine|CS-0122664

Structure of 21377-09-3

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General Information

  • CAS No. 21377-09-3
  • Cat. No. CS-0122664
  • Purity ≥98%
  • MDL No. MFCD03422517
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N₃
  • Molecular Weight 173.21
  • Synonym(s) 3-Amino-1-benzylpyrazole
  • SMILES NC1=NN(CC2=CC=CC=C2)C=C1

Description

1-Benzyl-1H-pyrazol-3-amine features a pyrazole core functionalized with a benzyl group at N1 and an amino substituent at C3, delivering a versatile scaffold for medicinal chemistry. The electron-rich heterocycle integrates readily into bioactive molecules, while the benzylic linker enhances lipophilic character and metabolic stability. This compound serves as a key building block in targeted drug discovery programs.

Application

1-Benzyl-1H-pyrazol-3-amine serves as a versatile building block in medicinal chemistry, enabling efficient construction of bioactive heterocycles through standard coupling and functionalization reactions. Its pyrazole core offers enhanced metabolic stability and favorable pharmacokinetic properties, while the benzyl group provides orthogonal reactivity for further derivatization. The compound exhibits excellent bench stability and is compatible with common reaction conditions, facilitating straightforward purification and integration into complex molecular architectures.

Synthesis

  • Route1
    • 1-Benzyl-3-nitro-1h-pyrazole|CS-0124056
      898053-27-5
    • ~%
    • In-stock
      1-Benzyl-1H-pyrazol-3-amine|CS-0122664
      21377-09-3

    References

    • US2008/21032 A1, ; Page/Page column 36 ; US 20080021032 A1
  • Route2
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      72159-23-0
    • ~%
    • In-stock
      1-Benzyl-1H-pyrazol-3-amine|CS-0122664
      21377-09-3

    References

    • WO2009/46802 A1, ; Page/Page column 49-50 ; WO 2009/046802 A1

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   43.84
  • LogP   1.5136
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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