5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine

C15H11BFN3 — CID 137278592

IUPAC5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine
SMILESFc1ccc(B2Nc3ccccc3-c3ccnn32)cc1
InChIInChI=1S/C15H11BFN3/c17-12-7-5-11(6-8-12)16-19-14-4-2-1-3-13(14)15-9-10-18-20(15)16/h1-10,19H
InChIKeyBDAOWAYBJOJMNV-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.36
Rot. Bonds1

About 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine

5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine (PubChem CID 137278592) has the molecular formula C15H11BFN3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine
PubChem CID137278592
Molecular FormulaC15H11BFN3
Molecular Weight263.08 g/mol
Exact Mass263.10
IUPAC Name5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine
SMILESFc1ccc(B2Nc3ccccc3-c3ccnn32)cc1
InChIInChI=1S/C15H11BFN3/c17-12-7-5-11(6-8-12)16-19-14-4-2-1-3-13(14)15-9-10-18-20(15)16/h1-10,19H
InChIKeyBDAOWAYBJOJMNV-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine?
The IUPAC name of 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine (CID 137278592) is 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine.
What is the SMILES notation for 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine?
The canonical SMILES for 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine is Fc1ccc(B2Nc3ccccc3-c3ccnn32)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine?
The InChIKey is BDAOWAYBJOJMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BFN3/c17-12-7-5-11(6-8-12)16-19-14-4-2-1-3-13(14)15-9-10-18-20(15)16/h1-10,19H.
What are the key properties of 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine?
5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine has a molecular weight of 263.08 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinine is sourced from PubChem (CID 137278592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).