Cas no 2649055-18-3 (1H-Pyrazole, 4,5-dihydro-5-(1-methylethyl)-)

1H-Pyrazole, 4,5-dihydro-5-(1-methylethyl)- structure
2649055-18-3 structure
Product Name:1H-Pyrazole, 4,5-dihydro-5-(1-methylethyl)-
CAS No:2649055-18-3
MF:C6H12N2
MW:112.172881126404
CID:5279741
PubChem ID:58473803
Update Time:2024-03-01

1H-Pyrazole, 4,5-dihydro-5-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 4,5-dihydro-5-(1-methylethyl)-
    • Inchi: 1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h4-6,8H,3H2,1-2H3
    • InChI Key: OJXKRLBPDXOUOV-UHFFFAOYSA-N
    • SMILES: N1C(C(C)C)CC=N1

Computed Properties

  • Exact Mass: 112.100048391g/mol
  • Monoisotopic Mass: 112.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 96.7
  • 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: 1.2
  • Topological Polar Surface Area: 24.4?2

1H-Pyrazole, 4,5-dihydro-5-(1-methylethyl)- Pricemore >>

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