Cas no 1006495-30-2 (4-(3-methyl-1H-pyrazol-1-yl)butanoic acid)

4-(3-methyl-1H-pyrazol-1-yl)butanoic acid structure
1006495-30-2 structure
Product Name:4-(3-methyl-1H-pyrazol-1-yl)butanoic acid
CAS No:1006495-30-2
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD06805414
CID:3059092
PubChem ID:19620063
Update Time:2025-04-21

4-(3-methyl-1H-pyrazol-1-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(3-Methyl-pyrazol-1-yl)-butyric acid
    • 4-(3-methyl-1H-pyrazol-1-yl)butanoic acid
    • AKOS000309033
    • CS-0264329
    • GQB49530
    • BBL040312
    • STK350156
    • 4-(3-methylpyrazol-1-yl)butanoic acid
    • EN300-92600
    • 1006495-30-2
    • SCHEMBL22151220
    • MFCD06805414
    • 4-(3-methyl-1H-pyrazol-1-yl)butanoicacid
    • MDL： MFCD06805414
    • Inchi： 1S/C8H12N2O2/c1-7-4-6-10(9-7)5-2-3-8(11)12/h4,6H,2-3,5H2,1H3,(H,11,12)
    • InChI Key： DDHNVLJTSLQYBB-UHFFFAOYSA-N
    • SMILES： OC(CCCN1C=CC(C)=N1)=O

Computed Properties

  • Exact Mass: 168.089877630Da
  • Monoisotopic Mass: 168.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 161
  • 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

4-(3-methyl-1H-pyrazol-1-yl)butanoic acid Pricemore >>

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