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CS-W001157 4
Total: USD 88.00

5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

  • CAS No. 845895-95-6

  • Cat. No. CS-W018735
  • Purity≥95%
  • MDL No.MFCD17392854

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

5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile|CS-W018735

Structure of 845895-95-6

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General Information

  • CAS No. 845895-95-6
  • Cat. No. CS-W018735
  • Purity ≥95%
  • MDL No. MFCD17392854
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂Cl₂N₄
  • Molecular Weight 213.03
  • Synonym(s) None
  • SMILES N#CC1=C2N=C(Cl)C=C(Cl)N2N=C1

Description

5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile features a rigid heterocyclic core with dual chlorine substituents and a nitrile group at C3, enabling strong π-stacking and directional interactions. This electron-deficient scaffold integrates efficiently into kinase inhibitor scaffolds and serves as a key building block in medicinal chemistry for targeted covalent drug discovery.

Application

5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its electron-deficient core enables efficient coupling reactions, while the ortho-dichloro substitution pattern facilitates regioselective functionalization. The nitrile group provides a handle for downstream transformations, enhancing its utility in constructing complex scaffolds under standard synthetic conditions.

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   53.98
  • LogP   1.90778
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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