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CS-W001157 4
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Methyl 5-formyl-1-isopropyl-1H-pyrazole-3-carboxylate

  • CAS No. 617709-79-2

  • Cat. No. CS-W020541
  • Molecule weight196.20
  • Purity≥95%
  • MDL No.None

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

Methyl 5-formyl-1-isopropyl-1H-pyrazole-3-carboxylate|CS-W020541

Structure of 617709-79-2

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General Information

  • CAS No. 617709-79-2
  • Cat. No. CS-W020541
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₃
  • Molecular Weight 196.20
  • Synonym(s) methyl 5-formyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylate
  • SMILES O=C(C1=NN(C(C)C)C(C=O)=C1)OC

Description

Methyl 5-formyl-1-isopropyl-1H-pyrazole-3-carboxylate features a reactive aldehyde group at the 5-position paired with a sterically hindered isopropyl substituent, enabling selective transformations in heterocyclic synthesis. This bench-stable scaffold integrates readily into medicinal chemistry campaigns requiring modular pyrazole-based building blocks.

Application

Methyl 5-formyl-1-isopropyl-1H-pyrazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds. The orthogonally functionalized core—combining a formyl group at C5 and an ester at C3—facilitates diverse transformations including nucleophilic additions, condensations, and metal-catalyzed couplings. Its bench-stable nature and compatibility with common protecting group strategies streamline purification and downstream derivatization in medicinal chemistry and process 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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.19
  • LogP   1.0631
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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