triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane

C21H26BN3Si — CID 136709124

IUPACtriethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
SMILESCC[Si](CC)(CC)c1ccccc1B1Nc2ccccc2-c2ccnn21
InChIInChI=1S/C21H26BN3Si/c1-4-26(5-2,6-3)21-14-10-8-12-18(21)22-24-19-13-9-7-11-17(19)20-15-16-23-25(20)22/h7-16,24H,4-6H2,1-3H3
InChIKeyVFZDNFLHKWFSGH-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.93
Rot. Bonds5

About triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane

triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane (PubChem CID 136709124) has the molecular formula C21H26BN3Si and a molecular weight of 359.36 g/mol. Its IUPAC name is triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane.

Molecular Properties

Compound Nametriethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
PubChem CID136709124
Molecular FormulaC21H26BN3Si
Molecular Weight359.36 g/mol
Exact Mass359.20
IUPAC Nametriethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
SMILESCC[Si](CC)(CC)c1ccccc1B1Nc2ccccc2-c2ccnn21
InChIInChI=1S/C21H26BN3Si/c1-4-26(5-2,6-3)21-14-10-8-12-18(21)22-24-19-13-9-7-11-17(19)20-15-16-23-25(20)22/h7-16,24H,4-6H2,1-3H3
InChIKeyVFZDNFLHKWFSGH-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.93
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 triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
The IUPAC name of triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane (CID 136709124) is triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane.
What is the SMILES notation for triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
The canonical SMILES for triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane is CC[Si](CC)(CC)c1ccccc1B1Nc2ccccc2-c2ccnn21.
What is the InChIKey of triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
The InChIKey is VFZDNFLHKWFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BN3Si/c1-4-26(5-2,6-3)21-14-10-8-12-18(21)22-24-19-13-9-7-11-17(19)20-15-16-23-25(20)22/h7-16,24H,4-6H2,1-3H3.
What are the key properties of triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane has a molecular weight of 359.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane is sourced from PubChem (CID 136709124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).