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CS-W001157 4
Total: USD 88.00

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 89831-40-3

  • Cat. No. CS-W006059
  • Purity≥97%
  • MDL No.MFCD15143212
  • HazMat Fee +

    HazMat Fee

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    The shipment is processed through FedEx Ground under the Limited Quantity option.

    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid|CS-W006059

Structure of 89831-40-3

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Description

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid features a rigid pyrazole core with strategically positioned methyl groups that enhance solubility and metabolic stability. The carboxylic acid moiety enables direct conjugation or derivatization in medicinal chemistry applications. This compound serves as a bioisostere for phenyl or other heterocyclic systems in drug discovery, offering improved physicochemical properties.

Application

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical research. Its pyrazole core provides structural rigidity and hydrogen-bonding capacity, while the carboxylic acid enables direct derivatization via amide, ester, or acyl chloride formation. The methyl substituents enhance metabolic stability and modulate lipophilicity, offering favorable properties for lead optimization. This compound exhibits good bench stability and facilitates purification through standard recrystallization or chromatography techniques.

General Information

  • CAS No. 89831-40-3
  • Cat. No. CS-W006059
  • Purity ≥97%
  • MDL No. MFCD15143212
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₂
  • Molecular Weight 140.14
  • Synonym(s) 4,5-Dimethylpyrazole-3-carboxylic acid
  • SMILES CC1=N[NH]C(=C1C)C(=O)O

Computational Chemistry Data

  • TPSA   65.98
  • LogP   0.72474
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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