Cas no 1007517-46-5 (Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate)

Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate structure
1007517-46-5 structure
Product Name:Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
CAS No:1007517-46-5
MF:C7H9BrN2O2
MW:233.062560796738
MDL:MFCD08701079
CID:1068858
PubChem ID:23006107
Update Time:2025-04-20

Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
    • AC1Q4442
    • methyl 3-(4-bromopyrazolyl)propanoate
    • MolPort-000-930-130
    • SBB051103
    • methyl 3-(4-bromopyrazol-1-yl)propanoate
    • 3-(4-bromopyrazol-1-yl)propionic acid methyl ester
    • 3-(4-bromo-1-pyrazolyl)propanoic acid methyl ester
    • methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate(SALTDATA
    • methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate(SALTDATA: FREE)
    • ALBB-012088
    • STL428959
    • EN300-72656
    • methyl3-(4-bromo-1H-pyrazol-1-yl)propanoate
    • DTXSID00629694
    • Methyl 4-bromo-1H-pyrazole-1-propanoate
    • 1007517-46-5
    • DB-431286
    • SCHEMBL15447742
    • MFCD08701079
    • G21944
    • 1H-Pyrazole-1-propanoic acid, 4-bromo-, methyl ester
    • Z729840286
    • AKOS003673634
    • MDL: MFCD08701079
    • Inchi: 1S/C7H9BrN2O2/c1-12-7(11)2-3-10-5-6(8)4-9-10/h4-5H,2-3H2,1H3
    • InChI Key: HIBCHSRWJQMUTN-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CCC(=O)OC

Computed Properties

  • Exact Mass: 231.98474g/mol
  • Monoisotopic Mass: 231.98474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 166
  • 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: 0.7
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12000
  • LogP: 1.20870

Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate Security Information

  • HazardClass:IRRITANT

Methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate Pricemore >>

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