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CS-W001157 4
Total: USD 88.00

4-Bromo-1H-pyrazole-3-carboxamide

  • CAS No. 1146951-57-6

  • Cat. No. CS-0619824
  • Molecule weight190.00
  • Purity≥95%
  • MDL No.None

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

4-Bromo-1H-pyrazole-3-carboxamide|CS-0619824

Structure of 1146951-57-6

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General Information

  • CAS No. 1146951-57-6
  • Cat. No. CS-0619824
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄BrN₃O
  • Molecular Weight 190.00
  • Synonym(s) None
  • SMILES O=C(C1=NNC=C1Br)N

Description

4-Bromo-1H-pyrazole-3-carboxamide features a brominated pyrazole core paired with a carboxamide group, enabling integration into diverse heterocyclic scaffolds. The electron-deficient pyrazole ring facilitates cross-coupling reactions, while the amide functionality offers hydrogen-bonding capacity for targeted molecular recognition. This compound serves as a key building block in medicinal chemistry and materials science.

Application

4-Bromo-1H-pyrazole-3-carboxamide serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through palladium-catalyzed cross-coupling reactions. Its bromine substituent facilitates reliable C–X bond functionalization, while the carboxamide group offers hydrogen-bonding capability and metabolic stability. The compound exhibits good bench stability and compatibility with diverse reaction conditions, making it well-suited for iterative synthesis workflows targeting bioactive molecules.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   71.77
  • LogP   0.2711
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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