Cas no 1003012-06-3 (1-(2-methylpropyl)-3-nitro-1H-pyrazole)

1-(2-Methylpropyl)-3-nitro-1H-pyrazole is a nitro-substituted pyrazole derivative characterized by its isobutyl side chain at the N1 position. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the development of pharmaceuticals, agrochemicals, and energetic materials. The nitro group enhances reactivity, facilitating further functionalization, while the 2-methylpropyl substituent may influence solubility and steric properties. Its structural features make it suitable for applications requiring tailored electronic or steric effects in heterocyclic systems. The compound is typically handled under controlled conditions due to the nitro group's potential sensitivity. Analytical characterization is recommended to confirm purity and stability for intended uses.
1-(2-methylpropyl)-3-nitro-1H-pyrazole structure
1003012-06-3 structure
Product Name:1-(2-methylpropyl)-3-nitro-1H-pyrazole
CAS No:1003012-06-3
MF:C7H11N3O2
MW:169.181141138077
MDL:MFCD09701725
CID:2857101
PubChem ID:25247760
Update Time:2025-05-21

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

Names and Identifiers

    • 1-isobutyl-3-nitro-1H-pyrazole
    • 1-(2-methylpropyl)-3-nitro-1H-pyrazole
    • MFCD09701725
    • EN300-231563
    • CJCOHLYFDOJEMH-UHFFFAOYSA-N
    • AKOS015922480
    • AKOS005167928
    • STK352095
    • 1-(2-methylpropyl)-3-nitropyrazole
    • SCHEMBL1861569
    • 1003012-06-3
    • MDL： MFCD09701725
    • Inchi： 1S/C7H11N3O2/c1-6(2)5-9-4-3-7(8-9)10(11)12/h3-4,6H,5H2,1-2H3
    • InChI Key： CJCOHLYFDOJEMH-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CN(CC(C)C)N=1)=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: 167
  • 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: 1.7
  • Topological Polar Surface Area: 63.6?2

1-(2-methylpropyl)-3-nitro-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB422721-1 g
1-(2-Methylpropyl)-3-nitro-1H-pyrazole
 1003012-06-3
1g
 €542.30 2023-04-24
abcr
AB422721-5 g
1-(2-Methylpropyl)-3-nitro-1H-pyrazole
 1003012-06-3
5g
 €947.00 2023-04-24
abcr
AB422721-10 g
1-(2-Methylpropyl)-3-nitro-1H-pyrazole
 1003012-06-3
10g
 €1330.40 2023-04-24
Chemenu
CM331416-1g
1-(2-Methylpropyl)-3-nitro-1h-pyrazole
 1003012-06-3 95%+
1g
 $500 2021-08-18
Chemenu
CM331416-5g
1-(2-Methylpropyl)-3-nitro-1h-pyrazole
 1003012-06-3 95%+
5g
 $1556 2021-08-18
Chemenu
CM331416-1g
1-(2-Methylpropyl)-3-nitro-1h-pyrazole
 1003012-06-3 95%+
1g
 $330 2023-02-03
Chemenu
CM331416-5g
1-(2-Methylpropyl)-3-nitro-1h-pyrazole
 1003012-06-3 95%+
5g
 $957 2023-02-03
Enamine
EN300-231563-0.05g
1-(2-methylpropyl)-3-nitro-1H-pyrazole
 1003012-06-3 95%
0.05g
 $69.0 2024-06-20
Enamine
EN300-231563-0.1g
1-(2-methylpropyl)-3-nitro-1H-pyrazole
 1003012-06-3 95%
0.1g
 $105.0 2024-06-20
Enamine
EN300-231563-0.25g
1-(2-methylpropyl)-3-nitro-1H-pyrazole
 1003012-06-3 95%
0.25g
 $149.0 2024-06-20

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