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

C15H13BN2O — CID 143877743

IUPAC[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
SMILESOBc1ccc(-n2cc(-c3ccccc3)cn2)cc1
InChIInChI=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
InChIKeyBRTLGKPJLLMUDX-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.51
Rot. Bonds3

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 CID143877743
Molecular FormulaC15H13BN2O
Molecular Weight248.09 g/mol
Exact Mass248.11
IUPAC Name[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
SMILESOBc1ccc(-n2cc(-c3ccccc3)cn2)cc1
InChIInChI=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
InChIKeyBRTLGKPJLLMUDX-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile
CID 115487818
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768
N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83109942
5-(difluoromethyl)-3-fluoro-1H-pyrazole;1,4-diphenylpyrazole
CID 175581011

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).