Cas no 1011401-85-6 (ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate)

ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate structure
1011401-85-6 structure
Product Name:ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate
CAS No:1011401-85-6
MF:C15H18N2O2
MW:258.315623760223
CID:2623063
PubChem ID:40428643
Update Time:2025-04-21

ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-[(4-methylphenyl)methyl]-, ethyl ester
    • SCHEMBL15956989
    • MFCD00278589
    • DB-157822
    • Ethyl 5-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylate
    • ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate
    • DTXSID10654351
    • ISVCHIZPICJRNZ-UHFFFAOYSA-N
    • 1011401-85-6
    • Inchi： 1S/C15H18N2O2/c1-4-19-15(18)14-9-12(3)17(16-14)10-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3
    • InChI Key： ISVCHIZPICJRNZ-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=C(C)N(CC2C=CC(C)=CC=2)N=1)=O

Computed Properties

  • Exact Mass: 258.136828g/mol
  • Monoisotopic Mass: 258.136828g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 301
  • 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
  • Molecular Weight: 258.32g/mol
  • XLogP3: 3.1
  • Topological Polar Surface Area: 44.1?2

ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate Related Literature

1011401-85-6 (ethyl 5-methyl-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylate) Related Products

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