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CS-W001157 4
Total: USD 88.00

3-Iodo-5-methyl-1H-pyrazole

  • CAS No. 93233-21-7

  • Cat. No. CS-W021944
  • Purity≥96%
  • MDL No.None

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

3-Iodo-5-methyl-1H-pyrazole|CS-W021944

Structure of 93233-21-7

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General Information

  • CAS No. 93233-21-7
  • Cat. No. CS-W021944
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅IN₂
  • Molecular Weight 208.00
  • Synonym(s) None
  • SMILES CC1=CC(I)=NN1

Description

3-Iodo-5-methyl-1H-pyrazole is a bench-stable heterocyclic building block featuring a reactive iodine atom at the 3-position and a methyl group at the 5-position. This combination enables efficient cross-coupling transformations, particularly in palladium-catalyzed reactions, where it serves as a reliable handle for constructing complex pyrazole-based scaffolds in medicinal chemistry and materials science.

Application

3-Iodo-5-methyl-1H-pyrazole serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions to construct biologically relevant scaffolds. The iodide group provides high reactivity in Suzuki, Stille, and Negishi couplings, while the methyl substituent enhances stability and modulates electronic properties. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient access to substituted pyrazoles for medicinal chemistry and materials science applications.

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

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.32272
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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