Cas no 1326811-82-8 (Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate)

Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate structure
1326811-82-8 structure
Product Name:Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate
CAS No:1326811-82-8
MF:C12H11BrN2O2
MW:295.131942033768
MDL:MFCD18433852
CID:1040638
PubChem ID:53487046
Update Time:2025-04-20

Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate
    • 5-(3-bromophenyl)-1H-Pyrazole-3-carboxylic acid ethyl ester
    • Ethyl5-(3-bromophenyl)-1H-pyrazole-3-carboxylate
    • DB-062927
    • AKOS016006296
    • 1326811-82-8
    • MFCD18433852
    • 1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-, ethyl ester
    • Ethyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
    • DTXSID30705218
    • MDL： MFCD18433852
    • Inchi： 1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,15)
    • InChI Key： KUJTYJNKBBDFIY-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(=C1)C1C=C(C(=O)OCC)NN=1

Computed Properties

  • Exact Mass: 294
  • Monoisotopic Mass: 294
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 275
  • 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
  • Topological Polar Surface Area: 55A^2
  • XLogP3: 3.1

Ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate Pricemore >>

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