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1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 1340372-11-3

  • Cat. No. CS-0099158
  • Purity≥97%
  • MDL No.MFCD19611565

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

1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid|CS-0099158

Structure of 1340372-11-3

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General Information

  • CAS No. 1340372-11-3
  • Cat. No. CS-0099158
  • Purity ≥97%
  • MDL No. MFCD19611565
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₃
  • Molecular Weight 196.20
  • Synonym(s) 1-(Tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid
  • SMILES O=C(O)C1=CN(N=C1)C2CCOCC2

Description

This pyrazole carboxylic acid features a tetrahydropyran-4-yl group that enhances solubility and metabolic stability. The scaffold integrates a polar heterocycle with a rigid, oxygen-containing ring, enabling robust conjugation in medicinal chemistry. Designed for efficient derivatization, it serves as a versatile building block in target-oriented synthesis.

Application

1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of pyrazole-based heterocycles with enhanced solubility and metabolic stability. The tetrahydropyran-4-yl group provides a robust, bench-stable protecting group for the alcohol functionality, facilitating orthogonal deprotection during synthesis. Its carboxylic acid moiety supports direct coupling reactions, amide formation, or salt formation, making it suitable for peptide-like conjugations and scaffold diversification in API development 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-P405-P501

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   0.9328
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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