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Ethyl 1-methyl-1H-pyrazole-5-carboxylate

  • CAS No. 197079-26-8

  • Cat. No. CS-0037299
  • Molecule weight154.17
  • Purity≥95%
  • MDL No.MFCD08700760

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

Ethyl 1-methyl-1H-pyrazole-5-carboxylate|CS-0037299

Structure of 197079-26-8

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General Information

  • CAS No. 197079-26-8
  • Cat. No. CS-0037299
  • Purity ≥95%
  • MDL No. MFCD08700760
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) 2-Methyl-2H-pyrazole-3-carboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=CC=NN1C

Description

Ethyl 1-methyl-1H-pyrazole-5-carboxylate features a pyrazole core functionalized with methyl and ethoxycarbonyl groups at the 1- and 5-positions, respectively. This electron-deficient heterocycle integrates readily into transition-metal-catalyzed coupling reactions. The ester moiety enables further derivatization via hydrolysis or nucleophilic substitution. The compound exhibits bench-stable handling characteristics and good solubility in common organic solvents.

Application

Ethyl 1-methyl-1H-pyrazole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds through standard functional group manipulations. Its stability under routine reaction conditions and compatibility with palladium-catalyzed cross-coupling processes facilitate downstream derivatization. The ester functionality permits selective hydrolysis or reduction, while the electron-deficient pyrazole ring supports electrophilic substitution and metal-mediated transformations, making it a practical reagent for 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   0.5968
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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