Cas no 1006485-37-5 (3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-oxopropanenitrile)

3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-oxopropanenitrile structure
1006485-37-5 structure
Product Name:3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-oxopropanenitrile
CAS No:1006485-37-5
MF:C8H9N3O
MW:163.176561117172
MDL:MFCD08696363
CID:3160112
PubChem ID:19622669
Update Time:2025-04-21

3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-oxopropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-oxopropanenitrile
    • AKOS000313458
    • CS-0240954
    • GQB48537
    • BBL040999
    • 1006485-37-5
    • 2-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-OXOETHYL CYANIDE
    • STL414518
    • 3-(1,5-dimethylpyrazol-4-yl)-3-oxopropanenitrile
    • SCHEMBL17351457
    • EN300-230708
    • MDL: MFCD08696363
    • Inchi: 1S/C8H9N3O/c1-6-7(5-10-11(6)2)8(12)3-4-9/h5H,3H2,1-2H3
    • InChI Key: KBIYVULNPPUXMJ-UHFFFAOYSA-N
    • SMILES: O=C(CC#N)C1C=NN(C)C=1C

Computed Properties

  • Exact Mass: 163.074561919Da
  • Monoisotopic Mass: 163.074561919Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 230
  • 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: 0.2
  • Topological Polar Surface Area: 58.7?2

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