Cas no 88585-36-8 (Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate)

Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate structure
88585-36-8 structure
Product Name:Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
CAS No:88585-36-8
MF:C13H14N2O3
MW:246.261863231659
MDL:MFCD29075068
CID:627702
PubChem ID:353972
Update Time:2024-12-09

Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 2,5-dihydro-5-oxo-1-(phenylmethyl)-,ethyl ester
    • ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
    • ethyl 1-benzyl-5-hydroxy-1H-pyrazole-4-carboxylate
    • NSC603621
    • KDBJJPVHBRLKKR-UHFFFAOYSA-N
    • 1-Benzyl-4-ethoxycarbonyl-3-pyrazolin-5-one
    • Ethyl 2,5-dihydro-5-oxo-1-(phenylmethyl)-1H-pyrazole-4-carboxylate (ACI)
    • AKOS021315219
    • NSC-603621
    • ethyl 2-benzyl-3-oxo-1H-pyrazole-4-carboxylate
    • AKOS030629894
    • SCHEMBL11005506
    • ethyl 1-benzyl-5-oxo-2H-pyrazole-4-carboxylate
    • AS-48621
    • MFCD29075068
    • 651755-15-6
    • 88585-36-8
    • F51961
    • CS-W018383
    • ethyl2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
    • SCHEMBL13495282
    • Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
    • MDL: MFCD29075068
    • Inchi: 1S/C13H14N2O3/c1-2-18-13(17)11-8-14-15(12(11)16)9-10-6-4-3-5-7-10/h3-8,14H,2,9H2,1H3
    • InChI Key: KDBJJPVHBRLKKR-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CNN(C1=O)CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 246.10044231g/mol
  • Monoisotopic Mass: 246.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 359
  • 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: 58.6
  • XLogP3: 1.8

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Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:88585-36-8)Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
Order Number:A1187241
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:03
Price ($):1184.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:88585-36-8)Ethyl 2-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
A1187241
Purity:99%
Quantity:1g
Price ($):1184.0
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