Cas no 1245808-61-0 (1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole)

1-(Butan-2-yl)-4-chloro-3-methyl-1H-pyrazole is a substituted pyrazole derivative with potential applications in agrochemical and pharmaceutical research. Its structure features a chloro and methyl group at the 4- and 3-positions, respectively, along with a butan-2-yl substituent at the 1-position, which may influence its reactivity and biological activity. This compound is of interest due to its potential as an intermediate in the synthesis of more complex molecules, particularly those targeting pest control or medicinal chemistry. The chloro and methyl groups enhance its versatility in further functionalization, while the butan-2-yl chain may contribute to improved lipophilicity. Its stability and synthetic accessibility make it a valuable building block for specialized chemical applications.
1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole structure
1245808-61-0 structure
Product Name:1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
CAS No:1245808-61-0
MF:C8H13ClN2
MW:172.655220746994
MDL:MFCD15976279
CID:3160136
PubChem ID:50896630
Update Time:2025-06-06

1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-sec-butyl-4-chloro-3-methyl-1H-pyrazole
    • 1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
    • 1245808-61-0
    • 4-Chloro-3-methyl-1-(1-methylpropyl)-1H-pyrazole
    • 4-CHLORO-3-METHYL-1-(SEC-BUTYL)PYRAZOLE
    • DTXSID601236311
    • AKOS005169347
    • 4-chloro-3-methyl-1-(methylpropyl)pyrazole
    • 1-butan-2-yl-4-chloro-3-methylpyrazole
    • CS-0295667
    • EN300-232332
    • 1-(Sec-butyl)-4-chloro-3-methyl-1h-pyrazole
    • STL584267
    • MDL： MFCD15976279
    • Inchi： 1S/C8H13ClN2/c1-4-6(2)11-5-8(9)7(3)10-11/h5-6H,4H2,1-3H3
    • InChI Key： ZPDISLLVWJCCPD-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=NN(C=1)C(C)CC

Computed Properties

  • Exact Mass: 172.0767261Da
  • Monoisotopic Mass: 172.0767261Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 129
  • 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: 2.5
  • Topological Polar Surface Area: 17.8?2

1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB502023-250 mg
1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0
250MG
 €198.50 2022-03-01
abcr
AB502023-500 mg
1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0
500MG
 €264.80 2022-03-01
abcr
AB502023-1 g
1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole
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 €309.00 2022-03-01
abcr
AB502023-5 g
1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0
5g
 €752.70 2022-03-01
Enamine
EN300-232332-1g
1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0
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 $284.0 2023-09-15
Enamine
EN300-232332-5g
1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0
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 $825.0 2023-09-15
Enamine
EN300-232332-10g
1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0
10g
 $1224.0 2023-09-15
Enamine
EN300-232332-0.05g
1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0 95%
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 $46.0 2024-06-20
Enamine
EN300-232332-0.1g
1-(butan-2-yl)-4-chloro-3-methyl-1H-pyrazole
 1245808-61-0 95%
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 $73.0 2024-06-20
Enamine
EN300-232332-0.25g
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