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Ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate

  • CAS No. 61453-48-3

  • Cat. No. CS-D0418
  • Purity≥98%
  • MDL No.MFCD16620142

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

Ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate|CS-D0418

Structure of 61453-48-3

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General Information

  • CAS No. 61453-48-3
  • Cat. No. CS-D0418
  • Purity ≥98%
  • MDL No. MFCD16620142
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₃
  • Molecular Weight 170.17
  • Synonym(s) None
  • SMILES O=C(C1=NNC(CO)=C1)OCC

Description

Ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate features a pyrazole core with orthogonal functional handles: a hydroxymethyl group enabling downstream derivatization and an ester for selective reduction or hydrolysis. This bench-stable scaffold integrates seamlessly into medicinal chemistry libraries, offering access to diverse heterocyclic architectures through controlled transformations.

Application

Ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal and synthetic chemistry, enabling straightforward functionalization at the C5 hydroxymethyl position. The molecule combines a pyrazole core with orthogonal reactivity—ideal for oxidation to aldehyde or carboxylic acid, ester manipulation, and coupling reactions. Its bench-stable nature and compatibility with standard protection/deprotection sequences make it well-suited for multi-step synthesis of heterocyclic scaffolds and API intermediates.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   75.21
  • LogP   0.0787
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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