Cas no 15803-27-7 (Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate)

Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate structure
15803-27-7 structure
Product Name:Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CAS No:15803-27-7
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD24387107
CID:1028897
PubChem ID:15717592
Update Time:2025-07-29

Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
    • DS-5710
    • 15803-27-7
    • Ethyl 3,4-dimethyl-1H-pyrazole-5-carboxylate
    • SCHEMBL19158730
    • ethyl4,5-diMethyl-1H-pyrazole-3-carboxylate
    • 1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester
    • AKOS022171485
    • Ethyl 4,5-Dimethylpyrazole-3-carboxylate
    • DTXSID20577320
    • MFCD24387107
    • O11766
    • SY046103
    • O11786
    • CS-0045364
    • DB-360421
    • MDL: MFCD24387107
    • Inchi: 1S/C8H12N2O2/c1-4-12-8(11)7-5(2)6(3)9-10-7/h4H2,1-3H3,(H,9,10)
    • InChI Key: NFKJSKVAOLQEDS-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C(C)=C(C)NN=1)=O

Computed Properties

  • Exact Mass: 168.08996
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 1.5
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98

Ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate Pricemore >>

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