Cas no 942040-15-5 (Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate)

Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate structure
942040-15-5 structure
Product Name:Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
CAS No:942040-15-5
MF:C13H14N2O2
MW:230.262463092804
MDL:MFCD18433853
CID:1000708
PubChem ID:75357940
Update Time:2025-09-28

Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 3-(2-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 5-(2-methylphenyl)pyrazolidine-3-carboxylate
    • Ethyl 5-(2-methylphenyl)-1H-pyrazole-3-carboxylate
    • MFCD18433853
    • 942040-15-5
    • SCHEMBL16111837
    • Ethyl 3-(2-methylphenyl)-1H-pyrazole-5-carboxylate
    • NUALAQVRUYQGTO-UHFFFAOYSA-N
    • BS-33259
    • Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
    • Ethyl5-(2-methylphenyl)-2H-pyrazole-3-carboxylate
    • MDL: MFCD18433853
    • Inchi: 1S/C13H14N2O2/c1-3-17-13(16)12-8-11(14-15-12)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,14,15)
    • InChI Key: NUALAQVRUYQGTO-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC(C2C=CC=CC=2C)=NN1)=O

Computed Properties

  • Exact Mass: 230.105527694g/mol
  • Monoisotopic Mass: 230.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 270
  • 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: 2.8
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 416.0±33.0 °C at 760 mmHg
  • Flash Point: 205.4±25.4 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Ethyl 5-(2-methylphenyl)-2H-pyrazole-3-carboxylate Security Information

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