Cas no 1269293-17-5 (1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole)

1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole is a heterocyclic compound featuring a pyrazole core substituted with a 2-nitrophenyl group at the 1-position and a thiophen-2-yl moiety at the 5-position. This structure combines electron-withdrawing (nitro) and electron-donating (thiophene) groups, making it a versatile intermediate in organic synthesis and medicinal chemistry. Its unique electronic properties facilitate applications in the development of pharmaceuticals, agrochemicals, and functional materials. The compound's stability and reactivity under various conditions make it suitable for further functionalization, including cross-coupling reactions. Its well-defined molecular architecture also supports research in optoelectronics and coordination chemistry.
1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole structure
1269293-17-5 structure
Product Name:1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole
CAS No:1269293-17-5
MF:C13H9N3O2S
MW:271.294461011887
CID:1089306
PubChem ID:56956097
Update Time:2025-10-23

1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole
    • 1-(2-nitrophenyl)-5-thiophen-2-ylpyrazole
    • AKOS022172567
    • 1269293-17-5
    • DTXSID60719020
    • Inchi： 1S/C13H9N3O2S/c17-16(18)11-5-2-1-4-10(11)15-12(7-8-14-15)13-6-3-9-19-13/h1-9H
    • InChI Key： NCRGXUDFYSKLRA-UHFFFAOYSA-N
    • SMILES： S1C=CC=C1C1=CC=NN1C1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 271.04154771g/mol
  • Monoisotopic Mass: 271.04154771g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 336
  • 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: 3.1
  • Topological Polar Surface Area: 91.9?2

1-(2-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole Pricemore >>

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