Cas no 1186663-55-7 (2-Amino-4-(1H-pyrazol-1-YL)benzoic acid)

2-Amino-4-(1H-pyrazol-1-yl)benzoic acid is a heterocyclic benzoic acid derivative featuring both an amino and a pyrazole substituent. This compound is of interest in pharmaceutical and agrochemical research due to its versatile reactivity, serving as a key intermediate in the synthesis of biologically active molecules. The presence of the pyrazole moiety enhances its potential as a ligand or scaffold in medicinal chemistry, while the carboxylic acid and amino groups offer sites for further functionalization. Its well-defined structure and stability under standard conditions make it suitable for applications in drug discovery and material science. The compound is typically characterized by HPLC, NMR, and mass spectrometry for purity verification.
2-Amino-4-(1H-pyrazol-1-YL)benzoic acid structure
1186663-55-7 structure
Product Name:2-Amino-4-(1H-pyrazol-1-YL)benzoic acid
CAS No:1186663-55-7
MF:C10H9N3O2
MW:203.197361707687
MDL:MFCD11656802
CID:1056090
Update Time:2025-05-28

2-Amino-4-(1H-pyrazol-1-YL)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-4-(1-pyrazolyl)benzoic Acid
    • 2-amino-4-(1H-pyrazol-1-yl)Benzoic acid
    • 2-amino-4-pyrazol-1-ylbenzoic acid
    • 2-Amino-4-(1-pyrazolyl)benzoicAcid
    • 5437AJ
    • TRA0079741
    • SY004876
    • AB1000253
    • AB0065455
    • 2-Amino-4-(1H-pyrazol-1-YL)benzoic acid
    • MDL: MFCD11656802
    • Inchi: 1S/C10H9N3O2/c11-9-6-7(13-5-1-4-12-13)2-3-8(9)10(14)15/h1-6H,11H2,(H,14,15)
    • InChI Key: MCADMJGMKMNLIE-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1N)N1C=CC=N1)=O

Computed Properties

  • Exact Mass: 203.06900
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 247
  • Topological Polar Surface Area: 81.1

Experimental Properties

  • PSA: 81.14000
  • LogP: 1.73390

2-Amino-4-(1H-pyrazol-1-YL)benzoic 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%

2-Amino-4-(1H-pyrazol-1-YL)benzoic acid Pricemore >>

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