Cas no 61859-96-9 (Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate)

Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate structure
61859-96-9 structure
Product Name:Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CAS No:61859-96-9
MF:C6H5F3N2O2
MW:194.111311674118
MDL:MFCD13151914
CID:464381
PubChem ID:58020781
Update Time:2025-04-19

Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • methyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • 1H-pyrazo<wbr>
    • LogP
    • 1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-, methyl ester
    • QWSUIVAZSMPWAO-UHFFFAOYSA-N
    • FCH1157218
    • AX8209130
    • AB0069332
    • ST24031011
    • Z4950
    • 3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid me
    • MFCD13151914
    • F2198-4588
    • 3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid methyl ester
    • Methyl3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • AKOS016007615
    • SY103307
    • DTXSID90728645
    • CS-0089687
    • SCHEMBL3906252
    • A868611
    • AMY5170
    • 61859-96-9
    • FS-3716
    • DB-351913
    • STL587824
    • MDL: MFCD13151914
    • Inchi: 1S/C6H5F3N2O2/c1-13-5(12)3-2-10-11-4(3)6(7,8)9/h2H,1H3,(H,10,11)
    • InChI Key: QWSUIVAZSMPWAO-UHFFFAOYSA-N
    • SMILES: FC(C1=C(C(=O)OC)C=NN1)(F)F

Computed Properties

  • Exact Mass: 194.03035
  • Monoisotopic Mass: 194.03031189g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 207
  • 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: 55
  • XLogP3: 1

Experimental Properties

  • PSA: 54.98

Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate Security Information

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