Cas no 1004644-50-1 (Ethyl 3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-ylacetate)

Ethyl 3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-ylacetate structure
1004644-50-1 structure
Product Name:Ethyl 3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-ylacetate
CAS No:1004644-50-1
MF:C9H12F2N2O2
MW:218.200589179993
MDL:MFCD03419396
CID:3058708
PubChem ID:7018367
Update Time:2025-04-21

Ethyl 3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-ylacetate Chemical and Physical Properties

Names and Identifiers

    • (3-Difluoromethyl-5-methyl-pyrazol-1-yl)-acetic acid ethyl ester
    • EN300-228262
    • 1004644-50-1
    • LZXQKQQQAKGTCD-UHFFFAOYSA-N
    • AKOS000308096
    • SB85822
    • ethyl 2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]acetate
    • Ethyl2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetate
    • ethyl 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate
    • STK312860
    • ethyl [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
    • Ethyl 2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetate
    • ethyl 2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
    • CS-0299139
    • Ethyl 3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-ylacetate
    • MDL: MFCD03419396
    • Inchi: 1S/C9H12F2N2O2/c1-3-15-8(14)5-13-6(2)4-7(12-13)9(10)11/h4,9H,3,5H2,1-2H3
    • InChI Key: LZXQKQQQAKGTCD-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)N(CC(=O)OCC)N=1)F

Computed Properties

  • Exact Mass: 218.08668395Da
  • Monoisotopic Mass: 218.08668395Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 226
  • 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: 1.7
  • Topological Polar Surface Area: 44.1?2

Ethyl 3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-ylacetate Pricemore >>

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