Cas no 1245823-99-7 (1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile)

1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile structure
1245823-99-7 structure
Product Name:1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
CAS No:1245823-99-7
MF:C6H4F3N3
MW:175.111270904541
MDL:MFCD18262356
CID:3160371
PubChem ID:50896767
Update Time:2025-04-21

1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
    • 1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
    • ALNXJJCINNCYQF-UHFFFAOYSA-N
    • SCHEMBL18525
    • 1245823-99-7
    • AKOS005169530
    • VZB82399
    • 969-588-2
    • AT32130
    • EN300-232560
    • CS-0300526
    • STL583989
    • MDL： MFCD18262356
    • Inchi： 1S/C6H4F3N3/c1-12-5(6(7,8)9)2-4(3-10)11-12/h2H,1H3
    • InChI Key： ALNXJJCINNCYQF-UHFFFAOYSA-N
    • SMILES： FC(C1=CC(C#N)=NN1C)(F)F

Computed Properties

  • Exact Mass: 175.03573163Da
  • Monoisotopic Mass: 175.03573163Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 216
  • 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: 1.2
  • Topological Polar Surface Area: 41.6?2

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