Cas no 306936-77-6 (1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE)

1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE structure
306936-77-6 structure
Product Name:1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE
CAS No:306936-77-6
MF:C6H7N3
MW:121.139880418777
MDL:MFCD00833260
CID:853605
PubChem ID:2736297
Update Time:2025-04-19

1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE Chemical and Physical Properties

Names and Identifiers

    • 1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE
    • 1H-Pyrazole-5-carbonitrile, 1,3-dimethyl-
    • 2,5-Dimethyl-2H-pyrazole-3-carbonitrile
    • 2,5-dimethylpyrazole-3-carbonitrile
    • 1,3-dimethylpyrazole-5-carbonitrile
    • 5-cyano-1,3-dimethylpyrazole
    • AC1MC59O
    • CTK1C0245
    • SBB021949
    • SureCN4409292
    • PS-3075
    • SCHEMBL4409292
    • STK349587
    • W11021
    • DTXSID30371255
    • A1-00161
    • DB-058050
    • EN300-229465
    • J-503915
    • MFCD00833260
    • 306936-77-6
    • BBL039937
    • AKOS000309842
    • FLBLWIMFXGNWRG-UHFFFAOYSA-N
    • CS-0054565
    • MDL: MFCD00833260
    • Inchi: 1S/C6H7N3/c1-5-3-6(4-7)9(2)8-5/h3H,1-2H3
    • InChI Key: FLBLWIMFXGNWRG-UHFFFAOYSA-N
    • SMILES: N1(C)C(C#N)=CC(C)=N1

Computed Properties

  • Exact Mass: 121.06411
  • Monoisotopic Mass: 121.063997236 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 146
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.7
  • Molecular Weight: 121.14
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.61

1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE Security Information

1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE Pricemore >>

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