Cas no 17607-81-7 (Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate)

Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate structure
17607-81-7 structure
Product Name:Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate
CAS No:17607-81-7
MF:C14H16N2O2
MW:244.289043426514
MDL:MFCD06661321
CID:135067
PubChem ID:2755348
Update Time:2025-04-19

Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-(phenylmethyl)-, ethyl ester
    • Ethyl 1-benzyl-5-methyl-1H-pyrazole-3-carboxylate
    • 5-methyl-1-(phenylmethyl)-1H-Pyrazole-3-carboxylic acid ethyl ester
    • ethyl 1-benzyl-5-methylpyrazole-3-carboxylate
    • FT-0714709
    • DTXSID00373084
    • MFCD06661321
    • SCHEMBL1233306
    • 17607-81-7
    • SKWMMSUYSUVJKJ-UHFFFAOYSA-N
    • AKOS004902576
    • STL554735
    • DB-065138
    • BBL100941
    • Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate
    • MDL: MFCD06661321
    • Inchi: 1S/C14H16N2O2/c1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
    • InChI Key: SKWMMSUYSUVJKJ-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=C(C)N(CC2C=CC=CC=2)N=1)=O

Computed Properties

  • Exact Mass: 244.12128
  • Monoisotopic Mass: 244.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 277
  • 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: 44.1?2

Experimental Properties

  • Color/Form: No date available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No date available
  • Boiling Point: 389.4±30.0 °C at 760 mmHg
  • Flash Point: 189.3±24.6 °C
  • PSA: 44.12
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate Security Information

Ethyl 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylate Pricemore >>

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