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CS-W001157 4
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1H-Pyrazol-4-ol

  • CAS No. 4843-98-5

  • Cat. No. CS-0044103
  • Purity≥97%
  • MDL No.MFCD01693118

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

1H-Pyrazol-4-ol|CS-0044103

Structure of 4843-98-5

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General Information

  • CAS No. 4843-98-5
  • Cat. No. CS-0044103
  • Purity ≥97%
  • MDL No. MFCD01693118
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄N₂O
  • Molecular Weight 84.08
  • Synonym(s) 4-hydroxypyrazole
  • SMILES OC1=CNN=C1

Description

1H-Pyrazol-4-ol serves as a key heterocyclic scaffold in medicinal chemistry, offering a hydrogen-bond-donating hydroxyl group at the 4-position. This arrangement enhances solubility and enables directed interactions with biological targets. The compound exhibits bench-stable behavior under standard conditions and integrates readily into diverse synthetic pathways.

Application

1H-Pyrazol-4-ol serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through well-established coupling and functionalization reactions. Its phenolic hydroxyl group facilitates derivatization while maintaining stability under standard reaction conditions, offering reliable access to diverse pyrazole-based compounds with applications in drug discovery and agrochemical development.

Synthesis

  • Route1

    References

    • JERINI AG Patent: WO2008/116620 A1, 2008 ; Location in patent: Page/Page column 171 ; WO 2008/116620 A1
  • Route2

    References

    • Filipski, Kevin J.; Bian, Jianwei; Ebner, David C.; Lee, Esther C.Y.; Li, Jian-Cheng; Sammons, Matthew F.; Wright, Stephen W.; Stevens, Benjamin D.; Didiuk, Mary T.; Tu, Meihua; Perreault, Christian; Brown, Janice; Atkinson, Karen; Tan, Beijing; Salatto, Christopher T.; Litchfield, John; Pfefferkorn, Jeffrey A.; Guzman-Perez, Angel Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 415 - 420

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   48.91
  • LogP   0.1153
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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