Cas no 1006459-10-4 (1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid)

1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid structure
1006459-10-4 structure
Product Name:1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid
CAS No:1006459-10-4
MF:C10H9F3N4O2
MW:274.199271917343
MDL:MFCD04967761
CID:2621357
PubChem ID:19618541
Update Time:2025-04-21

1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid
    • 1-((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylic acid
    • 1-([5-Methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl)-1h-pyrazole-3-carboxylic acid
    • 1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1H-pyrazole-3-carboxylic acid
    • BBL040925
    • 1-((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylicacid
    • 981-675-7
    • 1006459-10-4
    • EN300-229140
    • CS-0439676
    • 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid
    • GQB45910
    • 1-{[5-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]METHYL}PYRAZOLE-3-CARBOXYLIC ACID
    • AKOS000306547
    • STK510065
    • MDL: MFCD04967761
    • Inchi: 1S/C10H9F3N4O2/c1-6-4-8(10(11,12)13)15-17(6)5-16-3-2-7(14-16)9(18)19/h2-4H,5H2,1H3,(H,18,19)
    • InChI Key: SETJSBDIFLNRJQ-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)N(CN2C=CC(C(=O)O)=N2)N=1)(F)F

Computed Properties

  • Exact Mass: 274.06776003Da
  • Monoisotopic Mass: 274.06776003Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 352
  • 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: 1.6
  • Topological Polar Surface Area: 72.9?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 426.7±45.0 °C at 760 mmHg
  • Flash Point: 211.9±28.7 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid Security Information

1-{5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylmethyl}-1H-pyrazole-3-carboxylic acid Pricemore >>

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