[1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid

C9H8BFN2O3 — CID 142726706

IUPAC[1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid
SMILESOB(O)Oc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C9H8BFN2O3/c11-7-1-3-8(4-2-7)13-6-9(5-12-13)16-10(14)15/h1-6,14-15H
InChIKeyXGYNBJBDZOWLLZ-UHFFFAOYSA-N
MW221.98 g/mol
LogP0.36
Rot. Bonds3

About [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid

[1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid (PubChem CID 142726706) has the molecular formula C9H8BFN2O3 and a molecular weight of 221.98 g/mol. Its IUPAC name is [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid.

Molecular Properties

Compound Name[1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid
PubChem CID142726706
Molecular FormulaC9H8BFN2O3
Molecular Weight221.98 g/mol
Exact Mass222.06
IUPAC Name[1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid
SMILESOB(O)Oc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C9H8BFN2O3/c11-7-1-3-8(4-2-7)13-6-9(5-12-13)16-10(14)15/h1-6,14-15H
InChIKeyXGYNBJBDZOWLLZ-UHFFFAOYSA-N
XLogP0.36
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.98
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid?
The IUPAC name of [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid (CID 142726706) is [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid.
What is the SMILES notation for [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid?
The canonical SMILES for [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid is OB(O)Oc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid?
The InChIKey is XGYNBJBDZOWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BFN2O3/c11-7-1-3-8(4-2-7)13-6-9(5-12-13)16-10(14)15/h1-6,14-15H.
What are the key properties of [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid?
[1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid has a molecular weight of 221.98 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)pyrazol-4-yl]oxyboronic acid is sourced from PubChem (CID 142726706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).