Cas no 1005584-44-0 (2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid)

2-[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is a brominated trifluoromethyl-substituted pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a reactive bromine substituent and a trifluoromethyl group, enhancing its utility as an intermediate in the synthesis of biologically active compounds. The propanoic acid moiety improves solubility and facilitates further functionalization. This compound is particularly valuable in medicinal chemistry for designing enzyme inhibitors or receptor modulators due to its electron-withdrawing groups, which can influence binding affinity and metabolic stability. Its well-defined synthetic pathway and high purity make it a reliable building block for specialized organic synthesis.
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid structure
1005584-44-0 structure
Product Name:2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid
CAS No:1005584-44-0
MF:C8H8BrF3N2O2
MW:301.060531616211
MDL:MFCD03419689
CID:1126958
PubChem ID:17024731
Update Time:2025-05-28

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid
    • AKOS B007252
    • ART-CHEM-BB B007252
    • 2-(4-BROMO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID
    • 2-(4-BROMO-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)PROPANOIC ACID
    • CS-0112671
    • STK312806
    • EN300-83594
    • MFCD03419689
    • CHEMBL3445146
    • 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
    • BBL038974
    • AKOS000308185
    • 1005584-44-0
    • Z1245633649
    • D77108
    • 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)propanoicacid
    • F2169-0799
    • MDL： MFCD03419689
    • Inchi： 1S/C8H8BrF3N2O2/c1-3-5(9)6(8(10,11)12)13-14(3)4(2)7(15)16/h4H,1-2H3,(H,15,16)
    • InChI Key： DJOJMQVILNQNNZ-UHFFFAOYSA-N
    • SMILES： BrC1C(C(F)(F)F)=NN(C=1C)C(C(=O)O)C

Computed Properties

  • Exact Mass: 299.97212g/mol
  • Monoisotopic Mass: 299.97212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 287
  • 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: 2.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 339.7±42.0 °C at 760 mmHg
  • Flash Point: 159.2±27.9 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid Security Information

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic Acid Pricemore >>

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