Cas no 690631-98-2 (5-(3-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid)

5-(3-Hydroxyphenyl)-1H-pyrazole-3-carboxylic acid is a versatile heterocyclic compound featuring both a hydroxyl-substituted phenyl ring and a pyrazole carboxylic acid moiety. This structure confers unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The hydroxyl group enhances solubility and provides a site for further functionalization, while the carboxylic acid group allows for derivatization into esters, amides, or other derivatives. Its rigid pyrazole core contributes to stability and potential bioactivity, particularly in drug discovery targeting inflammation or metabolic disorders. The compound’s balanced polarity facilitates purification and characterization, supporting its use in high-precision applications.
5-(3-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid structure
690631-98-2 structure
Product Name:5-(3-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid
CAS No:690631-98-2
MF:C10H8N2O3
MW:204.18212223053
MDL:MFCD05664420
CID:502690
PubChem ID:2794658
Update Time:2025-06-06

5-(3-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylicacid, 5-(3-hydroxyphenyl)-
    • 3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
    • 5-(3-Hydroxyphenyl)-1H-pyrazole-3-carboxylic acid
    • 690631-98-2
    • MFCD05664420
    • 3-Carboxy-5-(3-hydroxyphenyl)-1H-pyrazole
    • SCHEMBL73351
    • DTXSID00383300
    • KOWRVFWZCLHEIU-UHFFFAOYSA-N
    • EN300-1830230
    • 5-(3-Hydroxy-phenyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR
    • 1H-Pyrazole-3-carboxylicacid,5-(3-hydroxyphenyl)-
    • AM804233
    • FT-0692615
    • 5-(3-HYDROXY-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
    • 3-(3-Carboxy-1H-pyrazol-5-yl)phenol
    • PS-11223
    • AKOS005254833
    • BBL100634
    • STL554428
    • DB-026282
    • 5-(3-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid
    • MDL： MFCD05664420
    • Inchi： 1S/C10H8N2O3/c13-7-3-1-2-6(4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
    • InChI Key： KOWRVFWZCLHEIU-UHFFFAOYSA-N
    • SMILES： OC1=CC=CC(=C1)C1C=C(C(=O)O)NN=1

Computed Properties

  • Exact Mass: 204.05300
  • Monoisotopic Mass: 204.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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: 1.4
  • Topological Polar Surface Area: 86.2?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: 256 °C
  • Boiling Point: 597.7±45.0 °C at 760 mmHg
  • Flash Point: 315.3±28.7 °C
  • Refractive Index: 1.685
  • PSA: 86.21000
  • LogP: 1.48050
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

5-(3-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid Security Information

5-(3-hydroxyphenyl)-1H-pyrazole-3-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%

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