Cas no 13618-35-4 (Zinc03848355)

Zinc03848355 structure
Zinc03848355 structure
Product Name:Zinc03848355
CAS No:13618-35-4
MF:C11H12N2
MW:172.226382255554
CID:2771650
PubChem ID:2753112
Update Time:2025-04-21

Zinc03848355 Chemical and Physical Properties

Names and Identifiers

    • DTXCID10323999
    • pyrazole, 3(5),4-dimethyl-5(3)-phenyl-
    • BNROKPZXXLRARR-UHFFFAOYSA-N
    • DTXSID10372967
    • SCHEMBL873201
    • 13618-35-4
    • 1H-Pyrazole, 3,4-dimethyl-5-phenyl-
    • AKOS004907850
    • ZINC03848355
    • 4,5-dimethyl-3-phenylpyrazole
    • Dimethylphenylpyrazol
    • AKOS006370175
    • SCHEMBL11622606
    • 3,4-dimethyl-5-phenylpyrazole
    • Zinc03848355
    • Inchi: 1S/C11H12N2/c1-8-9(2)12-13-11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
    • InChI Key: BNROKPZXXLRARR-UHFFFAOYSA-N
    • SMILES: N1C(C)=C(C)C(C2C=CC=CC=2)=N1

Computed Properties

  • Exact Mass: 172.100048391Da
  • Monoisotopic Mass: 172.100048391Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 2.6
  • Topological Polar Surface Area: 28.7?2
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