Cas no 847818-66-0 (1-Isopentyl-1H-pyrazole-5-boronic acid)

1-Isopentyl-1H-pyrazole-5-boronic acid structure
847818-66-0 structure
Product Name:1-Isopentyl-1H-pyrazole-5-boronic acid
CAS No:847818-66-0
MF:C8H15BN2O2
MW:182.027901887894
MDL:MFCD12407381
CID:1039174
PubChem ID:11309888
Update Time:2025-04-20

1-Isopentyl-1H-pyrazole-5-boronic acid Chemical and Physical Properties

Names and Identifiers

    • (1-Isopentyl-1H-pyrazol-5-yl)boronic acid
    • 2-(3-Methylbutyl)-2H-pyrazole-3-boronic acid
    • B-[1-(3-methylbutyl)-1H-pyrazol-5-yl]Boronic acid
    • 1-(3-methylbutyl)-1H-pyrazol-5-ylboronic acid
    • 1-Isopentyl-1H-pyrazole-5-boronic acid
    • SCHEMBL15329870
    • FT-0736053
    • (1-Isopentyl-1H-pyrazol-5-yl)boronicacid
    • E84424
    • DTXSID30461887
    • MFCD12407381
    • 847818-66-0
    • CS-0173869
    • BS-24282
    • AKOS015893105
    • XIB81866
    • [2-(3-methylbutyl)pyrazol-3-yl]boronic Acid
    • DA-35248
    • 2-(3-METHYLBUTYL)PYRAZOL-3-YLBORONIC ACID
    • MDL： MFCD12407381
    • Inchi： 1S/C8H15BN2O2/c1-7(2)4-6-11-8(9(12)13)3-5-10-11/h3,5,7,12-13H,4,6H2,1-2H3
    • InChI Key： CWFZHICUFOUGRG-UHFFFAOYSA-N
    • SMILES： OB(C1=CC=NN1CCC(C)C)O

Computed Properties

  • Exact Mass: 182.12300
  • Monoisotopic Mass: 182.1226579g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 155
  • 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: 58.3?2

Experimental Properties

  • PSA: 58.28000
  • LogP: -0.39100

1-Isopentyl-1H-pyrazole-5-boronic acid Pricemore >>

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1-Isopentyl-1H-pyrazole-5-boronic acid Production Method

1-Isopentyl-1H-pyrazole-5-boronic acid Related Literature

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