Cas no 1004643-48-4 (1-(3-chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine)

1-(3-Chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine is a pyrazole derivative with a chlorophenyl substituent, exhibiting potential utility as an intermediate in pharmaceutical and agrochemical synthesis. Its structural features, including the chlorophenyl and pyrazole amine groups, make it a versatile building block for the development of biologically active compounds. The compound’s stability and reactivity under controlled conditions allow for selective modifications, enabling its use in the synthesis of targeted molecules. Its well-defined chemical properties and purity ensure reproducibility in research and industrial applications. This compound is particularly valuable in medicinal chemistry for exploring structure-activity relationships in drug discovery.
1-(3-chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine structure
1004643-48-4 structure
Product Name:1-(3-chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine
CAS No:1004643-48-4
MF:C11H12ClN3
MW:221.686080932617
MDL:MFCD04969965
CID:2111282
PubChem ID:7017706
Update Time:2025-10-20

1-(3-chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 1-(3-chlorobenzyl)-5-methyl-1H-pyrazol-3-amine
    • 1-(3-chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine
    • 1004643-48-4
    • EQB64348
    • SCHEMBL3186423
    • DA-31209
    • 112-226-8
    • AKOS000310130
    • BBL039229
    • 1-(3-Chlorobenzyl)-5-methyl-1,2-dihydro-3h-pyrazol-3-imine
    • DTXCID801639793
    • DB-017196
    • 1-(3-chloro-benzyl)-5-methyl-1 h-pyrazol-3-ylamine
    • 1-[(3-chlorophenyl)methyl]-5-methyl-pyrazol-3-amine
    • STK313189
    • DTXSID801208403
    • 1-[(3-chlorophenyl)methyl]-5-methyl-1h-pyrazol-3-amine
    • EN300-229694
    • MFCD04969965
    • 1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-amine
    • CS-0280637
    • 1-(3-Chloro-benzyl)-5-methyl-1H-pyrazol-3-ylamine
    • 1-((3-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine
    • MDL： MFCD04969965
    • Inchi： 1S/C11H12ClN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,14)
    • InChI Key： UPONGTHMVCZGEI-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(=C1)CN1C(C)=CC(N)=N1

Computed Properties

  • Exact Mass: 221.0719751Da
  • Monoisotopic Mass: 221.0719751Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 212
  • 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: 2.5
  • Topological Polar Surface Area: 43.8?2

1-(3-chlorophenyl)methyl-5-methyl-1H-pyrazol-3-amine Pricemore >>

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Chemenu
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Enamine
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