Cas no 1006471-40-4 (1-Ethyl-1H-pyrazole-3-carbonitrile)

1-Ethyl-1H-pyrazole-3-carbonitrile is a heterocyclic organic compound featuring a pyrazole core substituted with an ethyl group at the 1-position and a nitrile functional group at the 3-position. This structure imparts versatility in synthetic applications, particularly as a key intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. The nitrile group enhances reactivity, enabling further functionalization through nucleophilic addition or reduction. Its stability under standard conditions and compatibility with various reaction conditions make it a valuable building block for constructing complex molecules. The compound is typically handled under inert conditions to preserve its integrity and is commonly used in research and industrial settings for targeted synthesis.
1-Ethyl-1H-pyrazole-3-carbonitrile structure
1006471-40-4 structure
Product Name:1-Ethyl-1H-pyrazole-3-carbonitrile
CAS No:1006471-40-4
MF:C6H7N3
MW:121.139880418777
MDL:MFCD04969701
CID:1074398
PubChem ID:19620692
Update Time:2025-10-18

1-Ethyl-1H-pyrazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-1H-pyrazole-3-carbonitrile
    • AG-B-82342
    • CTK7C8941
    • MolPort-000-891-008
    • SBB021946
    • STK349583
    • 1-ethylpyrazole-3-carbonitrile
    • 1-ethyl-3-pyrazolecarbonitrile
    • 1-ethyl-1H-pyrazole-3-carbonitrile(SALTDATA: FREE)
    • SCHEMBL15096488
    • DTXSID00599121
    • MFCD04969701
    • LS-04398
    • DB-421584
    • CS-0298456
    • BBL039934
    • ALBB-013984
    • 1006471-40-4
    • 1H-pyrazole-3-carbonitrile, 1-ethyl-
    • AKOS000309991
    • EN300-229462
    • MDL： MFCD04969701
    • Inchi： 1S/C6H7N3/c1-2-9-4-3-6(5-7)8-9/h3-4H,2H2,1H3
    • InChI Key： HUECRBCJOIYWSB-UHFFFAOYSA-N
    • SMILES： N1(C=CC(C#N)=N1)CC

Computed Properties

  • Exact Mass: 121.063997236g/mol
  • Monoisotopic Mass: 121.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 135
  • 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: 0.6
  • Topological Polar Surface Area: 41.6?2

1-Ethyl-1H-pyrazole-3-carbonitrile Security Information

  • HazardClass：IRRITANT

1-Ethyl-1H-pyrazole-3-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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A2B Chem LLC
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