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CS-W001157 4
Total: USD 88.00

3-(1H-Pyrazol-4-yl)aniline

  • CAS No. 1170691-45-8

  • Cat. No. CS-0163194
  • Purity≥97%
  • MDL No.None

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

3-(1H-Pyrazol-4-yl)aniline|CS-0163194

Structure of 1170691-45-8

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General Information

  • CAS No. 1170691-45-8
  • Cat. No. CS-0163194
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃
  • Molecular Weight 159.19
  • Synonym(s) 3-(1H-pyrazol-4-yl)Benzenamine
  • SMILES NC1=CC=CC(C2=CNN=C2)=C1

Description

3-(1H-Pyrazol-4-yl)aniline features a pyrazole ring fused to an aniline moiety, delivering a rigid, electron-rich scaffold ideal for conjugated systems. This structural motif enables direct integration into pharmaceutical intermediates and functional materials, offering enhanced solubility and stability under standard conditions.

Application

3-(1H-Pyrazol-4-yl)aniline serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its structure combines an electron-rich pyrazole ring with an aniline functionality, enabling diverse coupling reactions and facile functionalization. The compound exhibits good bench stability, moderate solubility in common organic solvents, and compatibility with standard amide bond formation and Suzuki-Miyaura coupling protocols, facilitating efficient access to complex molecular architectures in 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   54.7
  • LogP   1.6589
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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