Cas no 312531-87-6 (4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid)

4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid is a versatile benzoic acid derivative functionalized with a 3,5-dimethylpyrazole moiety. This compound is of interest in organic synthesis and medicinal chemistry due to its dual functionality, combining a carboxylic acid group for further derivatization and a pyrazole ring capable of coordinating with metal ions or participating in heterocyclic reactions. Its rigid aromatic backbone enhances stability, while the methyl substituents on the pyrazole ring improve solubility and steric control in reactions. The compound is particularly useful as a building block for pharmaceuticals, agrochemicals, and metal-organic frameworks (MOFs), offering a balance of reactivity and structural modularity.
4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid structure
312531-87-6 structure
Product Name:4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid
CAS No:312531-87-6
MF:C13H14N2O2
MW:230.262463092804
MDL:MFCD01821597
CID:1074846
PubChem ID:615212
Update Time:2025-10-19

4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
    • 4-(3,5-Dimethyl-pyrazol-1-ylmethyl)-benzoic acid
    • 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
    • 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
    • 4-[(3,5-dimethylpyrazolyl)methyl]benzoic acid
    • AC1LDAY8
    • AC1Q2IGV
    • Enamine_001357
    • DTXSID30346807
    • AKOS000103840
    • MFCD01821597
    • BS-37456
    • 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid #
    • DB-027918
    • CHEMBL1549054
    • Oprea1_181160
    • EN300-60226
    • 4-(3,5-dimethylpyrazol-1-ylmethyl)benzoic acid
    • SR-01000524552-1
    • SMR000124862
    • STK298446
    • CCG-24859
    • MLS000067374
    • SCHEMBL16823991
    • 312531-87-6
    • Z56793124
    • ORMOJZFLVSEQOR-UHFFFAOYSA-N
    • HMS2499D15
    • SR-01000524552
    • 4-(3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid, AldrichCPR
    • HMS1397N15
    • Benzoic acid, 4-(3,5-dimethyl-1-pyrazolyl)-
    • AG-205/12908015
    • 4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid
    • MDL： MFCD01821597
    • Inchi： 1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-3-5-12(6-4-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
    • InChI Key： ORMOJZFLVSEQOR-UHFFFAOYSA-N
    • SMILES： OC(C1C=CC(=CC=1)CN1C(C)=CC(C)=N1)=O

Computed Properties

  • Exact Mass: 230.10600
  • Monoisotopic Mass: 230.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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: 2.2
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.19
  • Melting Point: Not available
  • Boiling Point: 425.7°C at 760 mmHg
  • Flash Point: 211.3°C
  • Refractive Index: 1.595
  • PSA: 55.12000
  • LogP: 2.24640
  • Vapor Pressure: Not available

4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Security Information

4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic 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%

4-(3,5-Dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Pricemore >>

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