Cas no 1248501-80-5 (1-(4-Fluorophenyl)-1H-pyrazole-3,5-diamine)

1-(4-Fluorophenyl)-1H-pyrazole-3,5-diamine is a fluorinated pyrazole derivative characterized by its diamine substitution at the 3- and 5-positions of the pyrazole ring. This structural configuration imparts potential reactivity as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the 4-fluorophenyl group enhances its electronic properties, making it useful in cross-coupling reactions and as a building block for heterocyclic compounds. Its high purity and well-defined structure ensure consistent performance in research and industrial applications. The compound’s stability under standard conditions further contributes to its utility in synthetic chemistry.
1-(4-Fluorophenyl)-1H-pyrazole-3,5-diamine structure
1248501-80-5 structure
Product Name:1-(4-Fluorophenyl)-1H-pyrazole-3,5-diamine
CAS No:1248501-80-5
MF:C9H9FN4
MW:192.192964315414
CID:95236
PubChem ID:56956190
Update Time:2025-10-17

1-(4-Fluorophenyl)-1H-pyrazole-3,5-diamine Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluorophenyl)-1H-pyrazole-3,5-diamine
    • 1-(4-fluorophenyl)pyrazole-3,5-diamine
    • AKOS010513777
    • DTXSID00719105
    • 1H-Pyrazole-3,5-diamine, 1-(4-fluorophenyl)-
    • 1248501-80-5
    • Inchi： 1S/C9H9FN4/c10-6-1-3-7(4-2-6)14-9(12)5-8(11)13-14/h1-5H,12H2,(H2,11,13)
    • InChI Key： MBUVWDFUFYKBRA-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=CC=1)N1C(=CC(N)=N1)N

Computed Properties

  • Exact Mass: 192.08112447g/mol
  • Monoisotopic Mass: 192.08112447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 1.3
  • Topological Polar Surface Area: 69.9?2

Experimental Properties

  • Density: 1.45±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.9 g/l) (25 o C),

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