Cas no 852816-09-2 (1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester)

1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester structure
852816-09-2 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester
CAS No:852816-09-2
MF:C20H20N2O3
MW:336.384405136108
CID:1835675
PubChem ID:69147388
Update Time:2025-04-21

1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester
    • ethyl 3-(4-(benzyloxy)phenyl)-1-methyl-1H-pyrazole-5-carboxylate
    • 852816-09-2
    • DA-34203
    • SCHEMBL4692188
    • Inchi: 1S/C20H20N2O3/c1-3-24-20(23)19-13-18(21-22(19)2)16-9-11-17(12-10-16)25-14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3
    • InChI Key: YVZQQJKOTGVAMB-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC(=CC=1)C1C=C(C(=O)OCC)N(C)N=1

Computed Properties

  • Exact Mass: 336.14739250g/mol
  • Monoisotopic Mass: 336.14739250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 417
  • 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: 3.9
  • Topological Polar Surface Area: 53.4?2
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