Cas no 1003012-75-6 (3-nitro-1-(propan-2-yl)-1H-pyrazole)

3-Nitro-1-(propan-2-yl)-1H-pyrazole is a nitro-substituted pyrazole derivative characterized by its isopropyl functional group at the 1-position. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the development of agrochemicals, pharmaceuticals, and energetic materials. The nitro group enhances reactivity, facilitating further functionalization, while the isopropyl moiety may influence steric and electronic properties. Its structural features make it suitable for applications requiring tailored pyrazole-based scaffolds. The compound is typically handled under controlled conditions due to its potential sensitivity. Analytical methods such as NMR, HPLC, and mass spectrometry are recommended for purity verification.
3-nitro-1-(propan-2-yl)-1H-pyrazole structure
1003012-75-6 structure
Product Name:3-nitro-1-(propan-2-yl)-1H-pyrazole
CAS No:1003012-75-6
MF:C6H9N3O2
MW:155.154560804367
MDL:MFCD08558991
CID:2857099
PubChem ID:19576680
Update Time:2025-06-29

3-nitro-1-(propan-2-yl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 3-nitro-1-(propan-2-yl)-1H-pyrazole
    • 1-Isopropyl-3-nitro-1H-pyrazole
    • STK351494
    • 1-ISOPROPYL-3-NITROPYRAZOLE
    • 1003012-75-6
    • DB-201869
    • AKOS015922046
    • 3-nitro-1-propan-2-ylpyrazole
    • 1-isopropyl-3-nitro-pyrazole
    • MFCD08558991
    • EN300-194452
    • AKOS000319185
    • BVADIEGMRNCQSZ-UHFFFAOYSA-N
    • AT10072
    • SCHEMBL1863155
    • DQB01275
    • MDL： MFCD08558991
    • Inchi： 1S/C6H9N3O2/c1-5(2)8-4-3-6(7-8)9(10)11/h3-5H,1-2H3
    • InChI Key： BVADIEGMRNCQSZ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CN(C(C)C)N=1)=O

Computed Properties

  • Exact Mass: 155.069476538g/mol
  • Monoisotopic Mass: 155.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 154
  • 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: 1.1
  • Topological Polar Surface Area: 63.6?2

3-nitro-1-(propan-2-yl)-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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abcr
AB422729-25g
3-Nitro-1-(propan-2-yl)-1H-pyrazole; .
 1003012-75-6
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBTQ098-250mg
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