Cas no 400877-58-9 (Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate)

Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate is a brominated pyrazole derivative with significant utility in organic synthesis and pharmaceutical research. The compound features a reactive bromine substituent at the 4-position and an ethyl group at the 1-position, enhancing its versatility as a building block for further functionalization. The ester moiety at the 3-position facilitates derivatization into carboxylic acids or amides, broadening its applicability in medicinal chemistry. Its well-defined structure and stability under standard conditions make it a reliable intermediate for constructing heterocyclic frameworks. This compound is particularly valuable in the development of agrochemicals and bioactive molecules due to its modifiable reactivity profile.
Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate structure
400877-58-9 structure
Product Name:Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
CAS No:400877-58-9
MF:C7H9BrN2O2
MW:233.062560796738
MDL:MFCD04969842
CID:2857528
PubChem ID:7017643
Update Time:2025-10-11

Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
    • methyl 4-bromo-1-ethylpyrazole-3-carboxylate
    • 4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid methyl ester
    • BBL039433
    • SBB022084
    • STK315911
    • ST45161811
    • 4-bromo-1-ethyl-1 h-pyrazole-3-carboxylic acid methyl ester
    • EN300-229568
    • 400877-58-9
    • methyl4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
    • DTXSID601239939
    • CS-0215243
    • SCHEMBL858867
    • CTILOLAZJZKWKA-UHFFFAOYSA-N
    • F30591
    • Z1269162539
    • AKOS000310324
    • DB-138336
    • ARA87758
    • Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
    • MDL: MFCD04969842
    • Inchi: 1S/C7H9BrN2O2/c1-3-10-4-5(8)6(9-10)7(11)12-2/h4H,3H2,1-2H3
    • InChI Key: CTILOLAZJZKWKA-UHFFFAOYSA-N
    • SMILES: BrC1C(C(=O)OC)=NN(C=1)CC

Computed Properties

  • Exact Mass: 231.98474 g/mol
  • Monoisotopic Mass: 231.98474 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 1.4
  • Topological Polar Surface Area: 44.1
  • Molecular Weight: 233.06

Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate Pricemore >>

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