Cas no 834869-10-2 (3-Ethyl-5-pyrazolcarboxylic acid methyl ester)

3-Ethyl-5-pyrazolcarboxylic acid methyl ester is a pyrazole-based organic compound with the molecular formula C7H10N2O2. It serves as a versatile intermediate in pharmaceutical and agrochemical synthesis due to its reactive ester and pyrazole functionalities. The compound exhibits excellent stability under standard conditions, facilitating handling and storage. Its ethyl and methyl ester groups enhance solubility in common organic solvents, improving reactivity in nucleophilic substitution and condensation reactions. The pyrazole core provides a rigid heterocyclic structure, making it valuable for designing bioactive molecules, particularly in developing kinase inhibitors and antimicrobial agents. High purity grades (>98%) are available, ensuring reproducibility in research and industrial applications. Its synthetic flexibility allows for further functionalization, enabling tailored modifications for target-specific applications.
3-Ethyl-5-pyrazolcarboxylic acid methyl ester structure
834869-10-2 structure
Product Name:3-Ethyl-5-pyrazolcarboxylic acid methyl ester
CAS No:834869-10-2
MF:C7H10N2O2
MW:154.166501522064
MDL:MFCD08236689
CID:716136
PubChem ID:43428294
Update Time:2025-07-02

3-Ethyl-5-pyrazolcarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-ethyl-1H-pyrazole-5-carboxylate
    • 1H-Pyrazole-3-carboxylicacid, 5-ethyl-, methyl ester
    • 3-Ethyl-5-pyrazolcarboxylic acid methyl ester
    • 5-ethyl-3-pyrazolcarboxylic acid methyl ester
    • methyl 5-ethyl-1H-pyrazole-3-carboxylate
    • Methyl 5-ethyl-2H-Pyrazole-3-carboxylate
    • methyl 5-ethylpyrazole-3-carboxylate
    • 3-Ethyl-5-pyrazolecarboxylic acid methyl ester
    • SY019650
    • 834869-10-2
    • Methyl 3-Ethylpyrazole-5-carboxylate
    • CS-W003482
    • DTXSID80656024
    • AKOS015852365
    • FS-2847
    • DB-075937
    • SCHEMBL4191221
    • METHYL3-ETHYL-1H-PYRAZOLE-5-CARBOXYLATE
    • J-512428
    • MFCD08236689
    • MDL： MFCD08236689
    • Inchi： 1S/C7H10N2O2/c1-3-5-4-6(9-8-5)7(10)11-2/h4H,3H2,1-2H3,(H,8,9)
    • InChI Key： BNHJTPCDNQDUPI-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(CC)NN=1)OC

Computed Properties

  • Exact Mass: 154.07400
  • Monoisotopic Mass: 154.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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
  • Topological Polar Surface Area: 55A^2
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.17
  • Boiling Point: 308.5°C at 760 mmHg
  • Flash Point: 140.4°C
  • Refractive Index: 1.521
  • PSA: 54.98000
  • LogP: 0.75870

3-Ethyl-5-pyrazolcarboxylic acid methyl ester Security Information

3-Ethyl-5-pyrazolcarboxylic acid methyl ester 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%

3-Ethyl-5-pyrazolcarboxylic acid methyl ester Pricemore >>

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3-Ethyl-5-pyrazolcarboxylic acid methyl ester Production Method

Production Method 1

Reaction Conditions
1.1 20 °C → 55 °C; 1 h, 50 - 55 °C; 55 °C → 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  pH 1.8; 25 °C → 10 °C
1.3 Reagents: Hydrazine hydrate (1:1) Catalysts: p-Toluenesulfonic acid ;  2 h, 10 - 15 °C; 1 h, 10 - 15 °C
1.4 Reagents: Sodium hydroxide Solvents: Water ;  pH 7.2
Reference
A facile, improved synthesis of sildenafil and its analogues
Raghava Reddy, Ambati. V.; et al, Scientia Pharmaceutica, 2016, 84(3), 447-455

Production Method 2

Reaction Conditions
1.1 Catalysts: Tributylphosphine Solvents: (Trifluoromethyl)benzene ;  reflux
Reference
Intramolecular cyclization of vinyldiazoacetates as a versatile route to substituted pyrazoles
Drikermann, Denis; et al, ChemRxiv, 2020, 1, 1-9

Production Method 3

Reaction Conditions
1.1 Solvents: Methanol
2.1 Reagents: Hydrazine hydrate (1:1) Solvents: Dichloromethane
Reference
Synthesis, Acaricidal Activity, and Structure-Activity Relationships of Pyrazolyl Acrylonitrile Derivatives
Yu, Haibo; et al, Journal of Agricultural and Food Chemistry, 2016, 64(51), 9586-9591

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Dichloromethane
Reference
Synthesis, Acaricidal Activity, and Structure-Activity Relationships of Pyrazolyl Acrylonitrile Derivatives
Yu, Haibo; et al, Journal of Agricultural and Food Chemistry, 2016, 64(51), 9586-9591

Production Method 5

Reaction Conditions
1.1 Reagents: 4-Acetamidobenzenesulfonyl azide ,  1,8-Diazabicyclo[5.4.0]undec-7-ene
2.1 Catalysts: Tributylphosphine Solvents: (Trifluoromethyl)benzene ;  reflux
Reference
Intramolecular cyclization of vinyldiazoacetates as a versatile route to substituted pyrazoles
Drikermann, Denis; et al, ChemRxiv, 2020, 1, 1-9

3-Ethyl-5-pyrazolcarboxylic acid methyl ester Raw materials

3-Ethyl-5-pyrazolcarboxylic acid methyl ester Preparation Products

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