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CS-W001157 4
Total: USD 88.00

4-[4-(1H-Pyrazol-4-yl)phenyl]-1H-pyrazole

  • CAS No. 1036248-62-0

  • Cat. No. CS-W018436
  • Purity≥97%
  • MDL No.MFCD23704797

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

4-[4-(1H-Pyrazol-4-yl)phenyl]-1H-pyrazole|CS-W018436

Structure of 1036248-62-0

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General Information

  • CAS No. 1036248-62-0
  • Cat. No. CS-W018436
  • Purity ≥97%
  • MDL No. MFCD23704797
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₄
  • Molecular Weight 210.24
  • Synonym(s) 1,4-Di(1H-pyrazol-4-yl)benzene
  • SMILES N1=CC(=CN1)C2=CC=C(C=C2)C=3C=NNC3

Description

4-[4-(1H-Pyrazol-4-yl)phenyl]-1H-pyrazole features a rigid, planar architecture integrating two pyrazole rings via a biphenyl linkage, enhancing π-conjugation and electronic delocalization. This structural motif confers high thermal stability and favorable solubility in organic solvents, enabling straightforward incorporation into functional materials. The molecule serves as a robust scaffold for advanced molecular design in pharmaceuticals and optoelectronic applications.

Application

4-[4-(1H-Pyrazol-4-yl)phenyl]-1H-pyrazole serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its conjugated biaryl-pyrazole architecture enables robust participation in cross-coupling reactions, offers moderate metabolic stability, and functions effectively in the synthesis of functionalized scaffolds via Pd-catalyzed transformations. The molecule exhibits good bench stability and facilitates straightforward purification, supporting its use in scalable synthetic 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   57.36
  • LogP   2.4668
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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