Cas no 16459-38-4 (5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid)

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid is a heterocyclic compound featuring both amino and carboxylic acid functional groups, making it a versatile intermediate in organic synthesis. The presence of the 4-nitrophenyl substituent enhances its reactivity, particularly in coupling reactions and heterocycle formation. Its pyrazole core is structurally significant in medicinal chemistry, often serving as a scaffold for biologically active molecules. The carboxylic acid moiety allows for further derivatization, enabling applications in pharmaceuticals, agrochemicals, and material science. This compound's well-defined structure and functional group compatibility make it valuable for researchers developing novel compounds with tailored properties.
5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid structure
16459-38-4 structure
Product Name:5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
CAS No:16459-38-4
MF:C10H8N4O4
MW:248.19492149353
MDL:MFCD00174528
CID:121674
PubChem ID:2727512
Update Time:2025-05-27

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
    • 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-nitrophenyl)-
    • 5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
    • 5-amino-1-(4-nitrophenyl)pyrazole-4-carboxylic acid
    • HMS2809E08
    • BUTTPARK 34\09-40
    • DTXSID20369444
    • Z1599467131
    • CHEMBL1392996
    • 16459-38-4
    • MLS000850714
    • AKOS005255550
    • 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-nitrophenyl)-
    • SMR000456731
    • CCG-42337
    • MFCD00174528
    • EN300-144394
    • SR-01000632344-1
    • MDL： MFCD00174528
    • Inchi： 1S/C10H8N4O4/c11-9-8(10(15)16)5-12-13(9)6-1-3-7(4-2-6)14(17)18/h1-5H,11H2,(H,15,16)
    • InChI Key： VUYCAWFGQCSWAS-UHFFFAOYSA-N
    • SMILES： OC(C1C=NN(C=1N)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 248.05500
  • Monoisotopic Mass: 248.05455475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 337
  • 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: 1.5
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • Density: 1.66
  • Boiling Point: 522.6°Cat760mmHg
  • Flash Point: 269.9°C
  • Refractive Index: 1.736
  • PSA: 126.96000
  • LogP: 2.16530

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid 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%

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid Pricemore >>

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