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1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 50920-46-2

  • Cat. No. CS-0041556
  • Purity≥98%
  • MDL No.MFCD08445953

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

1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid|CS-0041556

Structure of 50920-46-2

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General Information

  • CAS No. 50920-46-2
  • Cat. No. CS-0041556
  • Purity ≥98%
  • MDL No. MFCD08445953
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) 1-ethyl-5-methyl-pyrazole-3-carboxylic acid
  • SMILES O=C(C1=NN(CC)C(C)=C1)O

Description

1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid features a pyrazole core with complementary alkyl and carboxylic acid functionalities, enabling direct integration into bioactive scaffolds. The electron-rich heterocycle pairs with the polar carboxylate for enhanced solubility and hydrogen-bonding capacity in medicinal chemistry applications.

Application

1-Ethyl-5-methyl-1H-pyrazole-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and process development. Its well-defined functional groups enable direct coupling reactions, including amide formation and esterification, with high reliability. The molecule exhibits bench stability, facilitates purification via standard chromatographic methods, and functions as a key scaffold in the synthesis of bioactive compounds.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.90962
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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