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CS-W001157 4
Total: USD 88.00

3-Iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole

  • CAS No. 1426424-00-1

  • Cat. No. CS-0051331
  • Purity≥98%
  • MDL No.None

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

3-Iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole|CS-0051331

Structure of 1426424-00-1

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General Information

  • CAS No. 1426424-00-1
  • Cat. No. CS-0051331
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇IN₂
  • Molecular Weight 234.04
  • Synonym(s) 3-Iodo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
  • SMILES IC1=NNC2=C1CCC2

Description

3-Iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole features a rigid, electron-deficient pyrazole core fused to a cyclopentane ring, enabling direct functionalization at the 3-position. This iodinated heterocycle serves as a key coupling partner in palladium-catalyzed cross-coupling reactions, offering high stability and predictable reactivity for constructing complex nitrogen-containing scaffolds in medicinal chemistry and materials science.

Application

3-Iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole serves as a versatile building block for the synthesis of functionalized heterocycles, enabling direct transition metal-catalyzed coupling reactions. The iodine substituent facilitates reliable cross-coupling transformations with minimal side reactivity, while the fused cyclopenta[cd]pyrazole core provides structural rigidity and enhanced metabolic stability. Its bench-stable nature and compatibility with common protecting group strategies make it well-suited for medicinal chemistry applications and scale-up processes.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.503
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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