Cas no 916791-97-4 (Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate)

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate structure
916791-97-4 structure
Product Name:Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
CAS No:916791-97-4
MF:C10H16N2O2
MW:196.246242523193
CID:822733
PubChem ID:2743509
Update Time:2025-09-24

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate
    • Ethyl 3-(2-methyl-2-propanyl)-1H-pyrazole-5-carboxylate
    • ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
    • ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate
    • Ethyl 3-(1,1-dimethylethyl)-1H-pyrazole-5-carboxylate (ACI)
    • 5-tert-Butyl-2H-pyrazole-3-carboxylic acid ethyl ester
    • RCXMILPYEKVQLB-UHFFFAOYSA-N
    • 5-tert-Butyl-1H-pyrazole-3-carboxylic acid ethyl ester
    • STK506263
    • CS-0368448
    • 1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester
    • AKOS005111418
    • Ethyl 5-tert-butylpyrazole-3-carboxylate
    • 5-tert-Butyl-1H-pyrazol-3-carboxylic acid ethyl ester
    • J-521157
    • ethyl 3-t-butyl-1H-pyrazole-5-carboxylate
    • AC-26262
    • Maybridge3_006722
    • BBL022481
    • SY061947
    • ALBB-010168
    • Ethyl 5-(tert-butyl)-1H-pyrazole-3-carboxylate
    • MFCD00173782
    • ethyl 5-tert-butyl-2H-pyrazole-3-carboxylate
    • 1H-Pyrazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-, ethyl ester
    • ethyl 3-(tert-butyl)pyrazole-5-carboxylate
    • DTXSID10952001
    • IDI1_018109
    • AKOS000269103
    • DA-34052
    • ethyl 5-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylate
    • AS-5168
    • DB-068123
    • 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLESTER
    • 294852-57-6
    • 916791-97-4
    • HMS1450B12
    • ethyl 3-t-butyl-1 H-pyrazole-5-carboxylate
    • 83405-70-3
    • ethyl 3-tert-butyl-1 H-pyrazole-5-carboxylate
    • ETHYL3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLATE
    • EN300-110824
    • Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate
    • SCHEMBL574316
    • DB-056712
    • CS-D0076
    • Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
    • MDL： MFCD00173782
    • Inchi： 1S/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
    • InChI Key： RCXMILPYEKVQLB-UHFFFAOYSA-N
    • SMILES： O=C(C1NN=C(C(C)(C)C)C=1)OCC

Computed Properties

  • Exact Mass: 196.121
  • Monoisotopic Mass: 196.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 211
  • 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: 2.5

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 142 °C
  • Boiling Point: 322.3±30.0 °C at 760 mmHg
  • Flash Point: 148.7±24.6 °C
  • Refractive Index: 1.5
  • PSA: 54.98000
  • LogP: 1.88390
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Security Information

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Pricemore >>

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Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetic acid ,  Hydrazine hydrate (1:1) Solvents: Ethanol-d ;  16 h, reflux
Reference
The discovery of a potent and selective pyrazolo-[2,3-e]-[1,2,4]-triazine cannabinoid type 2 receptor agonist
Moir, Michael; et al, European Journal of Medicinal Chemistry, 2021, 210,

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine ,  Hydrazine, dihydrochloride Solvents: Ethanol ;  2 h, rt
Reference
Pyrazole C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists
Lee, Sunho; et al, Bioorganic & Medicinal Chemistry Letters, 2017, 27(18), 4383-4388

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Raw materials

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Preparation Products

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Related Literature

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