Cas no 1001757-51-2 (4-chloro-1-(2-fluorophenyl)methyl-1H-pyrazol-3-amine)

4-chloro-1-(2-fluorophenyl)methyl-1H-pyrazol-3-amine structure
1001757-51-2 structure
Product Name:4-chloro-1-(2-fluorophenyl)methyl-1H-pyrazol-3-amine
CAS No:1001757-51-2
MF:C10H9ClFN3
MW:225.649964094162
MDL:MFCD02254015
CID:3057778
PubChem ID:7022258
Update Time:2025-04-21

4-chloro-1-(2-fluorophenyl)methyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-(2-fluoro-benzyl)-1 H -pyrazol-3-ylamine
    • AKOS B001316
    • ART-CHEM-BB B001316
    • 4-CHLORO-1-(2-FLUOROBENZYL)-1H-PYRAZOL-3-AMINE
    • 4-CHLORO-1-(2-FLUORO-BENZYL)-1H-PYRAZOL-3-YLAMINE
    • 4-chloro-1-(2-fluorophenyl)methyl-1H-pyrazol-3-amine
    • 4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-amine
    • STK312415
    • AKOS000304551
    • CS-0269616
    • 1001757-51-2
    • DTXSID301207812
    • 4-Chloro-1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-amine
    • EN300-227883
    • BBL038686
    • 4-Chloro-1-(2-fluorobenzyl)-1,2-dihydro-3h-pyrazol-3-imine
    • MDL： MFCD02254015
    • Inchi： 1S/C10H9ClFN3/c11-8-6-15(14-10(8)13)5-7-3-1-2-4-9(7)12/h1-4,6H,5H2,(H2,13,14)
    • InChI Key： XNJBUYVBLBDEAY-UHFFFAOYSA-N
    • SMILES： ClC1C(N)=NN(C=1)CC1C=CC=CC=1F

Computed Properties

  • Exact Mass: 225.0469032Da
  • Monoisotopic Mass: 225.0469032Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 217
  • 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: 2.2
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 381.7±37.0 °C at 760 mmHg
  • Flash Point: 184.6±26.5 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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