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CS-W001157 4
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Ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate

  • CAS No. 70500-80-0

  • Cat. No. CS-W007101
  • Purity≥95%
  • MDL No.MFCD07388488

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

Ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate|CS-W007101

Structure of 70500-80-0

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General Information

  • CAS No. 70500-80-0
  • Cat. No. CS-W007101
  • Purity ≥95%
  • MDL No. MFCD07388488
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁N₃O₂
  • Molecular Weight 169.18
  • Synonym(s) 5-Amino-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=NN(C)C(N)=C1)OCC

Description

Ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate features a pyrazole core functionalized with an amino group at C5 and a methyl substituent at C1, enabling diverse synthetic transformations. The ester handle facilitates coupling reactions, while the electron-rich pyrazole ring supports metal-catalyzed cross-couplings. This scaffold integrates readily into bioactive molecules, offering enhanced solubility and metabolic stability in medicinal chemistry applications.

Application

Ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted pyrazole scaffolds via amidation, alkylation, and transition-metal-catalyzed coupling reactions. The amino and ester functionalities offer orthogonal reactivity for sequential functionalization, while the methyl group enhances metabolic stability. Its bench-stable nature and compatibility with standard purification methods make it well-suited for high-throughput synthesis and process development.

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   70.14
  • LogP   0.179
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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