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1,2,4,5,6,7-Hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one hydrochloride

  • CAS No. 1187830-91-6

  • Cat. No. CS-0105378
  • Molecule weight175.62
  • Purity≥95%
  • MDL No.MFCD12400785

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

1,2,4,5,6,7-Hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one hydrochloride|CS-0105378

Structure of 1187830-91-6

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General Information

  • CAS No. 1187830-91-6
  • Cat. No. CS-0105378
  • Purity ≥95%
  • MDL No. MFCD12400785
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀ClN₃O
  • Molecular Weight 175.62
  • Synonym(s) 4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one hydrochloride
  • SMILES O=C1NNC2=C1CCNC2.[H]Cl

Description

This hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one hydrochloride offers a stable, moisture-tolerant heterocyclic scaffold with enhanced solubility in aqueous and polar organic media. The protonated pyridine nitrogen facilitates efficient salt formation, enabling straightforward handling and integration into synthetic workflows. Its rigid, electron-deficient core supports direct functionalization at C5 and C7 positions, making it ideal for building complex nitrogen-containing architectures in medicinal chemistry and materials science applications.

Application

1,2,4,5,6,7-Hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one hydrochloride serves as a stable, bench-ready heterocyclic building block for medicinal chemistry campaigns. Its saturated pyrazolopyridinone core exhibits favorable functional group tolerance and enables direct incorporation into complex scaffolds via standard amide coupling, nucleophilic substitution, or reductive amination protocols. The hydrochloride salt enhances solubility and crystallinity, facilitating purification and handling in high-throughput 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.68
  • LogP   -0.2295
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   0

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