Cas no 58248-65-0 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-)

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl- structure
58248-65-0 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-
CAS No:58248-65-0
MF:C22H32N2O2
MW:356.501686096191
CID:342734
PubChem ID:3816687
Update Time:2025-04-19

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-
    • 2,4-Dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-3H-pyrazol-3-one
    • 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
    • 4-Dodecanoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
    • DTXSID50396829
    • 58248-65-0
    • AKOS024354394
    • Inchi: 1S/C22H32N2O2/c1-3-4-5-6-7-8-9-10-14-17-20(25)21-18(2)23-24(22(21)26)19-15-12-11-13-16-19/h11-13,15-16,21H,3-10,14,17H2,1-2H3
    • InChI Key: ZGLNYPQAUHQFES-UHFFFAOYSA-N
    • SMILES: O=C(C1C(N(C2C=CC=CC=2)N=C1C)=O)CCCCCCCCCCC

Computed Properties

  • Exact Mass: 356.24656
  • Monoisotopic Mass: 356.246378268g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 12
  • Complexity: 481
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.4
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • PSA: 49.74
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