Cas no 1003993-39-2 (3-Methyl-5-nitro-1-propyl-1H-pyrazole)

3-Methyl-5-nitro-1-propyl-1H-pyrazole is a nitro-substituted pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a nitro group at the 5-position and a propyl substituent at the 1-position, contributing to its reactivity and utility as an intermediate in organic synthesis. The compound's stability and well-defined chemical properties make it suitable for use in heterocyclic chemistry, particularly in the development of biologically active molecules. Its nitro group offers opportunities for further functionalization, enabling diverse derivatization pathways. The compound is typically handled under controlled conditions due to its potential sensitivity. Analytical methods such as NMR and HPLC confirm its purity and structural integrity.
3-Methyl-5-nitro-1-propyl-1H-pyrazole structure
1003993-39-2 structure
Product Name:3-Methyl-5-nitro-1-propyl-1H-pyrazole
CAS No:1003993-39-2
MF:C7H11N3O2
MW:169.181141138077
CID:3060451
PubChem ID:7172346
Update Time:2025-05-28

3-Methyl-5-nitro-1-propyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-5-nitro-1-propyl-1H-pyrazole
    • AKOS B024968
    • ART-CHEM-BB B024968
    • AKOS000314436
    • STK350248
    • 3-methyl-5-nitro-1-propylpyrazole
    • 1003993-39-2
    • AKOS015922161
    • MDL： MFCD06740566
    • Inchi： 1S/C7H11N3O2/c1-3-4-9-7(10(11)12)5-6(2)8-9/h5H,3-4H2,1-2H3
    • InChI Key： SKLZMHDSSOOPOU-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC(C)=NN1CCC)=O

Computed Properties

  • Exact Mass: 169.085126602Da
  • Monoisotopic Mass: 169.085126602Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 169
  • 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: 1.6
  • Topological Polar Surface Area: 63.6?2

3-Methyl-5-nitro-1-propyl-1H-pyrazole Pricemore >>

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