Cas no 683274-56-8 (1H-Pyrazole, 1-methyl-5-(2-thienyl)-3-(trifluoromethyl)-)

1H-Pyrazole, 1-methyl-5-(2-thienyl)-3-(trifluoromethyl)- structure
683274-56-8 structure
Product Name:1H-Pyrazole, 1-methyl-5-(2-thienyl)-3-(trifluoromethyl)-
CAS No:683274-56-8
MF:C9H7F3N2S
MW:232.225490808487
CID:1726742
PubChem ID:4076860
Update Time:2025-04-21

1H-Pyrazole, 1-methyl-5-(2-thienyl)-3-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 1-methyl-5-(2-thienyl)-3-(trifluoromethyl)-
    • 1-methyl-5-(2-thienyl)-3-trifluoromethyl-1H-pyrazole
    • 1-methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazole
    • 683274-56-8
    • 3-trifluoromethyl-1-methyl-5-(2-thienyl)pyrazole
    • FS-1473
    • SCHEMBL4548028
    • JLLXDLYHXVHVAT-UHFFFAOYSA-N
    • 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
    • AKOS026674967
    • Inchi： 1S/C9H7F3N2S/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12/h2-5H,1H3
    • InChI Key： JLLXDLYHXVHVAT-UHFFFAOYSA-N
    • SMILES： S1C=CC=C1C1=CC(C(F)(F)F)=NN1C

Computed Properties

  • Exact Mass: 232.02831
  • Monoisotopic Mass: 232.02820389g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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: 2.5
  • Topological Polar Surface Area: 46.1?2

Experimental Properties

  • PSA: 17.82

1H-Pyrazole, 1-methyl-5-(2-thienyl)-3-(trifluoromethyl)- Pricemore >>

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