[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid

C₁₅H₁₃BN₂O — CID 143877743

About [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid

[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid (PubChem CID 143877743) has the molecular formula C₁₅H₁₃BN₂O and a molecular weight of 248.09 g/mol. Its IUPAC name is [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid.

Molecular Properties

• Compound Name: [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
• PubChem CID: 143877743
• Molecular Formula: C₁₅H₁₃BN₂O
• Molecular Weight: 248.09 g/mol
• Exact Mass: 248.11
• IUPAC Name: [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
• SMILES: OBc1ccc(-n2cc(-c3ccccc3)cn2)cc1
• InChI: InChI=1S/C15H13BN2O/c19-16-14-6-8-15(9-7-14)18-11-13(10-17-18)12-4-2-1-3-5-12/h1-11,16,19H
• InChIKey: BRTLGKPJLLMUDX-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.09
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid?

The IUPAC name of [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid (CID 143877743) is [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid.

What is the SMILES notation for [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid?

The canonical SMILES for [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid is OBc1ccc(-n2cc(-c3ccccc3)cn2)cc1.

What is the InChIKey of [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid?

The InChIKey is BRTLGKPJLLMUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BN2O/c19-16-14-6-8-15(9-7-14)18-11-13(10-17-18)12-4-2-1-3-5-12/h1-11,16,19H.

What are the key properties of [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid?

[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid has a molecular weight of 248.09 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-phenylpyrazol-1-yl)phenyl]borinic acid is sourced from PubChem (CID 143877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143877743 — identifiers, structure, computed properties (public domain)

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