Cas no 474707-59-0 (methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate)

methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate structure
474707-59-0 structure
Product Name:methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate
CAS No:474707-59-0
MF:C9H8N2O2S
MW:208.237020492554
CID:2645264
PubChem ID:22031034
Update Time:2025-04-21

methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL3851566
    • DB-123585
    • 474707-59-0
    • methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate
    • Inchi: 1S/C9H8N2O2S/c1-13-9(12)8-3-2-7(14-8)6-4-5-10-11-6/h2-5H,1H3,(H,10,11)
    • InChI Key: FUEGCOHVINCFBO-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OC)=CC=C1C1=CC=NN1

Computed Properties

  • Exact Mass: 208.03064868Da
  • Monoisotopic Mass: 208.03064868Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 1.8
  • Topological Polar Surface Area: 83.2?2
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