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CS-W001157 4
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Pyrazolo[1,5-b]pyridazine-3-carboxylic acid

  • CAS No. 88561-91-5

  • Cat. No. CS-D1082
  • Molecule weight163.13
  • Purity≥98%
  • MDL No.MFCD11865261

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

Pyrazolo[1,5-b]pyridazine-3-carboxylic acid|CS-D1082

Structure of 88561-91-5

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General Information

  • CAS No. 88561-91-5
  • Cat. No. CS-D1082
  • Purity ≥98%
  • MDL No. MFCD11865261
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₂
  • Molecular Weight 163.13
  • Synonym(s) Pyrazolo[1,5-b]pyridazine-3-carboxylicacid
  • SMILES O=C(C1=C2C=CC=NN2N=C1)O

Description

Pyrazolo[1,5-b]pyridazine-3-carboxylic acid features a fused heterocyclic core with a carboxylic acid group at the 3-position, enabling direct conjugation or derivatization. This scaffold combines electron-deficient aromaticity with a polar functional handle, offering enhanced solubility and stability for use in medicinal chemistry and materials science applications.

Application

Pyrazolo[1,5-b]pyridazine-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its fused tricyclic core exhibits enhanced metabolic stability and facilitates direct incorporation into bioactive scaffolds via standard amide coupling or esterification reactions. The carboxylic acid functionality enables facile derivatization, while the rigid, planar structure supports π-stacking interactions in target binding. Bench-stable and compatible with common protecting group strategies, it functions effectively in multi-step synthesis workflows.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   67.49
  • LogP   0.4275
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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