Cas no 637022-54-9 (1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)-)

1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)- structure
637022-54-9 structure
Product Name:1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)-
CAS No:637022-54-9
MF:C7H5ClF3N5O2
MW:283.595109701157
CID:1667456
PubChem ID:21071157
Update Time:2025-04-21

1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)-
    • DTXSID101153239
    • 5-(Azidomethyl)-4-chloro-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid
    • SCHEMBL13682568
    • (5-Azidomethyl-4-chloro-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
    • 637022-54-9
    • Inchi: 1S/C7H5ClF3N5O2/c8-5-3(1-13-15-12)16(2-4(17)18)14-6(5)7(9,10)11/h1-2H2,(H,17,18)
    • InChI Key: XWNIDICBAKIVFV-UHFFFAOYSA-N
    • SMILES: ClC1C(C(F)(F)F)=NN(CC(=O)O)C=1CN=[N+]=[N-]

Computed Properties

  • Exact Mass: 283.00855
  • Monoisotopic Mass: 283.0083866g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 373
  • 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: 2.4
  • Topological Polar Surface Area: 69.5?2

Experimental Properties

  • PSA: 103.88
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