Cas no 1269293-56-2 (1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole)

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole is a heterocyclic compound featuring a pyrazole core substituted with a 4-chlorophenyl group at the 1-position and a trifluoromethyl group at the 5-position. This structure imparts unique physicochemical properties, including enhanced stability and lipophilicity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of both chlorine and trifluoromethyl groups contributes to its reactivity in cross-coupling and functionalization reactions, enabling diverse derivatization pathways. Its well-defined molecular architecture ensures consistent performance in applications such as bioactive molecule development. The compound is typically characterized by high purity and compatibility with standard synthetic protocols, facilitating its use in research and industrial settings.
1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole structure
1269293-56-2 structure
Product Name:1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CAS No:1269293-56-2
MF:C10H6ClF3N2
MW:246.616251468658
CID:1089284
PubChem ID:21950752
Update Time:2025-06-07

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
    • 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
    • AKOS022172674
    • A12178
    • 1269293-56-2
    • SCHEMBL4854437
    • WTCCRKUZKGVUSP-UHFFFAOYSA-N
    • DTXSID00620641
    • Inchi： 1S/C10H6ClF3N2/c11-7-1-3-8(4-2-7)16-9(5-6-15-16)10(12,13)14/h1-6H
    • InChI Key： WTCCRKUZKGVUSP-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1)N1C(C(F)(F)F)=CC=N1

Computed Properties

  • Exact Mass: 246.0171604g/mol
  • Monoisotopic Mass: 246.0171604g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 17.8?2

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