Cas no 2090733-07-4 (1-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid)

1-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid structure
2090733-07-4 structure
Product Name:1-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CAS No:2090733-07-4
MF:C5H3F3N2O2
MW:180.084731340408
MDL:MFCD30188194
CID:4771277
Update Time:2026-02-26

1-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • SB35256
    • 2-(trifluoromethyl)pyrazole-3-carboxylic acid
    • 2-Trifluoromethyl-2H-pyrazole-3-carboxylic acid
    • 1-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid
    • 1H-Pyrazole-5-carboxylic acid, 1-(trifluoromethyl)-
    • MDL： MFCD30188194
    • Inchi： 1S/C5H3F3N2O2/c6-5(7,8)10-3(4(11)12)1-2-9-10/h1-2H,(H,11,12)
    • InChI Key： NUDUQRFWVVQTNT-UHFFFAOYSA-N
    • SMILES： FC(N1C(C(=O)O)=CC=N1)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 194
  • XLogP3: 1.2
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • Density: 1.65±0.1 g/cm3(Predicted)
  • Boiling Point: 222.7±40.0 °C(Predicted)
  • pka: 2.66±0.36(Predicted)

1-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid Pricemore >>

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