Cas no 158941-22-1 (1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester)

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester is a pyrazole-based ester derivative with a chlorinated aromatic structure. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the development of biologically active molecules, particularly in pharmaceutical and agrochemical research. The presence of multiple chlorine substituents enhances its lipophilicity, which may influence binding affinity in target interactions. The ethyl ester group improves solubility in organic solvents, facilitating further synthetic modifications. Its well-defined structure allows for precise functionalization, making it a valuable building block for specialized chemical synthesis. Careful handling is recommended due to its halogenated nature.
1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester structure
158941-22-1 structure
Product Name:1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester
CAS No:158941-22-1
MF:C19H15Cl3N2O2
MW:409.693601846695
CID:109048
PubChem ID:10938462
Update Time:2025-11-01

1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
    • 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
    • 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
    • ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
    • ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate
    • Ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate
    • I14-3006
    • 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester
    • SCHEMBL923180
    • 5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
    • AKOS015910148
    • Ethyl5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate
    • 158941-22-1
    • A809979
    • DTXSID80449034
    • HLDURSRJCIWNKA-UHFFFAOYSA-N
    • FT-0653517
    • 1H-Pyrazole-3-carboxylicacid,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-,ethylester
    • DTXCID50399855
    • 1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester
    • Inchi： 1S/C19H15Cl3N2O2/c1-3-26-19(25)17-11(2)18(12-4-6-13(20)7-5-12)24(23-17)16-9-8-14(21)10-15(16)22/h4-10H,3H2,1-2H3
    • InChI Key： HLDURSRJCIWNKA-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C=CC=1N1C(C2C=CC(=CC=2)Cl)=C(C)C(C(=O)OCC)=N1)Cl

Computed Properties

  • Exact Mass: 408.02000
  • Monoisotopic Mass: 408.019911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 487
  • 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: 6.4
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12000
  • LogP: 5.98460

1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Pricemore >>

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1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Production Method

1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Related Literature

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