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1-Ethylpyrazole-4-carbonitrile

  • CAS No. 1006434-01-0

  • Cat. No. CS-0061517
  • Purity≥98%
  • MDL No.None

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

1-Ethylpyrazole-4-carbonitrile|CS-0061517

Structure of 1006434-01-0

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General Information

  • CAS No. 1006434-01-0
  • Cat. No. CS-0061517
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃
  • Molecular Weight 121.14
  • Synonym(s) 1-Ethyl-1H-pyrazole-4-carbonitrile
  • SMILES CCN1C=C(C#N)C=N1

Description

1-Ethylpyrazole-4-carbonitrile features a pyrazole core with complementary electron-withdrawing nitrile and electron-donating ethyl substituents, enabling precise tuning of reactivity. This bench-stable heterocycle integrates readily into synthetic sequences requiring directional functionalization, particularly in medicinal chemistry and agrochemical discovery workflows.

Application

1-Ethylpyrazole-4-carbonitrile serves as a versatile heterocyclic building block in medicinal chemistry and process development. Its nitrile group enables facile transformation into amides, amines, or carboxylic acids, while the pyrazole core provides structural rigidity and hydrogen-bonding capacity. The ethyl substituent enhances lipophilicity and modulates solubility, facilitating purification and compatibility in standard coupling reactions. This compound demonstrates bench stability and functional group tolerance, making it well-suited for iterative synthesis of bioactive scaffolds and API intermediates.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   0.77468
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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