Cas no 957483-12-4 (2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine)

2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine is a pyrazole derivative featuring a methoxyphenyl substituent, which enhances its utility in pharmaceutical and agrochemical research. The compound’s structural motif, combining an aromatic ether and an amino-functionalized pyrazole ring, offers versatility in synthetic applications, particularly as an intermediate in the development of bioactive molecules. Its well-defined chemical properties, including stability under standard conditions and compatibility with further functionalization, make it valuable for targeted synthesis. The presence of both electron-donating (methoxy) and nucleophilic (amine) groups facilitates selective modifications, supporting its use in medicinal chemistry for drug discovery and optimization. This compound is typically handled under controlled conditions to ensure purity and reactivity.
2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine structure
957483-12-4 structure
Product Name:2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine
CAS No:957483-12-4
MF:C12H15N3O
MW:217.267002344131
CID:1072115
PubChem ID:3154155
Update Time:2025-10-29

2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine Chemical and Physical Properties

Names and Identifiers

    • 2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine
    • 1-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-amine
    • 957483-12-4
    • AKOS000147104
    • 2-[1-(4-methoxyphenyl)ethyl]pyrazol-3-amine
    • 1-(1-(4-Methoxyphenyl)ethyl)-1H-pyrazol-5-amine
    • MDL: MFCD07186335
    • Inchi: 1S/C12H15N3O/c1-9(15-12(13)7-8-14-15)10-3-5-11(16-2)6-4-10/h3-9H,13H2,1-2H3
    • InChI Key: PVDNFFDOIHTQQB-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)C(C)N1C(=CC=N1)N

Computed Properties

  • Exact Mass: 217.121512110g/mol
  • Monoisotopic Mass: 217.121512110g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 53.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 406.9±35.0 °C at 760 mmHg
  • Flash Point: 199.9±25.9 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine Security Information

2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine Pricemore >>

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