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Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate

  • CAS No. 1031351-95-7

  • Cat. No. CS-0040612
  • Purity≥98%
  • MDL No.MFCD22376784

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

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate|CS-0040612

Structure of 1031351-95-7

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General Information

  • CAS No. 1031351-95-7
  • Cat. No. CS-0040612
  • Purity ≥98%
  • MDL No. MFCD22376784
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₃
  • Molecular Weight None
  • Synonym(s) 1H-Pyrazole-5-carboxylic acid, 3-formyl-1-methyl-, methyl ester
  • SMILES O=C(C1=CC(C=O)=NN1C)OC

Description

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate features a bifunctional scaffold combining an aldehyde and an ester group on a substituted pyrazole ring. This electrophilic motif enables direct coupling in multistep syntheses, particularly for heterocyclic libraries and bioactive compound discovery. The molecule exhibits enhanced solubility in common organic solvents and maintains stability under standard bench conditions.

Application

Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. The molecule combines an electron-deficient pyrazole core with orthogonal functional groups—namely the formyl and ester moieties—enabling diverse transformations including nucleophilic additions, condensations, and transition-metal-catalyzed couplings. Its bench-stable nature and compatibility with standard purification methods make it well-suited for iterative synthesis workflows targeting bioactive scaffolds.

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   61.19
  • LogP   0.0192
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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