Cas no 197094-13-6 (5-(1H-pyrazol-1-yl)pentanoic acid)

5-(1H-pyrazol-1-yl)pentanoic acid structure
197094-13-6 structure
Product Name:5-(1H-pyrazol-1-yl)pentanoic acid
CAS No:197094-13-6
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD11192986
CID:3870805
PubChem ID:15356622
Update Time:2025-04-22

5-(1H-pyrazol-1-yl)pentanoic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-1-pentanoic acid
    • 5-(1H-pyrazol-1-yl)pentanoic acid
    • SCHEMBL5521617
    • SY275301
    • MFCD11192986
    • 5-(1-Pyrazolyl)pentanoic Acid
    • EN300-1839810
    • DTXSID701309145
    • 197094-13-6
    • starbld0031308
    • MDL: MFCD11192986
    • Inchi: 1S/C8H12N2O2/c11-8(12)4-1-2-6-10-7-3-5-9-10/h3,5,7H,1-2,4,6H2,(H,11,12)
    • InChI Key: YMFQLAHROLJYTE-UHFFFAOYSA-N
    • SMILES: N1(CCCCC(O)=O)C=CC=N1

Computed Properties

  • Exact Mass: 168.089877630Da
  • Monoisotopic Mass: 168.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 150
  • 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: 0.4
  • Topological Polar Surface Area: 55.1?2

5-(1H-pyrazol-1-yl)pentanoic acid Pricemore >>

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