Cas no 956786-61-1 (3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine)

3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine is a pyrazole-derived amine compound with potential applications in pharmaceutical and agrochemical research. Its structure features a chloro-substituted dimethylpyrazole ring linked to a propylamine chain, offering versatility as a building block for further functionalization. The chloro and dimethyl groups enhance steric and electronic properties, making it useful in ligand design or as an intermediate in synthetic pathways. The amine moiety provides a reactive site for conjugation or derivatization, facilitating the development of targeted bioactive molecules. This compound is characterized by its stability and purity, ensuring consistent performance in research applications. Its molecular framework is particularly valuable for exploring structure-activity relationships in medicinal chemistry.
3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine structure
956786-61-1 structure
Product Name:3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CAS No:956786-61-1
MF:C8H14ClN3
MW:187.669860363007
MDL:MFCD03419761
CID:1072209
PubChem ID:4715091
Update Time:2025-06-08

3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
    • [3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-amine
    • CS-0240440
    • 3-(4-chloro-3,5-dimethyl-1h-pyrazol-1-yl)-1-propanamine
    • FT-0684287
    • 3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine, AldrichCPR
    • EN300-228434
    • 3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-amine
    • 3-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-propylamine
    • VS-05116
    • MFCD03419761
    • DTXSID70405826
    • SBB020532
    • AKOS000308177
    • 956786-61-1
    • ALBB-016318
    • BBL016058
    • STK313237
    • 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-propanamine(SALTDATA: FREE)
    • [3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]amine
    • MDL： MFCD03419761
    • Inchi： 1S/C8H14ClN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3
    • InChI Key： XPZXAEULIHCKCX-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=NN(C=1C)CCCN

Computed Properties

  • Exact Mass: 187.0876252g/mol
  • Monoisotopic Mass: 187.0876252g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 142
  • 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
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 289.6±40.0 °C at 760 mmHg
  • Flash Point: 128.9±27.3 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine Security Information

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