triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane

C22H28BN3Si — CID 137295080

IUPACtriethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
SMILESCC[Si](CC)(CC)c1ccc(C)cc1B1Nc2ccccc2-c2ccnn21
InChIInChI=1S/C22H28BN3Si/c1-5-27(6-2,7-3)22-13-12-17(4)16-19(22)23-25-20-11-9-8-10-18(20)21-14-15-24-26(21)23/h8-16,25H,5-7H2,1-4H3
InChIKeyAATVCCGIYPUSOP-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.24
Rot. Bonds5

About triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane

triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane (PubChem CID 137295080) has the molecular formula C22H28BN3Si and a molecular weight of 373.39 g/mol. Its IUPAC name is triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane.

Molecular Properties

Compound Nametriethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
PubChem CID137295080
Molecular FormulaC22H28BN3Si
Molecular Weight373.39 g/mol
Exact Mass373.21
IUPAC Nametriethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane
SMILESCC[Si](CC)(CC)c1ccc(C)cc1B1Nc2ccccc2-c2ccnn21
InChIInChI=1S/C22H28BN3Si/c1-5-27(6-2,7-3)22-13-12-17(4)16-19(22)23-25-20-11-9-8-10-18(20)21-14-15-24-26(21)23/h8-16,25H,5-7H2,1-4H3
InChIKeyAATVCCGIYPUSOP-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.24
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-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
The IUPAC name of triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane (CID 137295080) is triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane.
What is the SMILES notation for triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
The canonical SMILES for triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane is CC[Si](CC)(CC)c1ccc(C)cc1B1Nc2ccccc2-c2ccnn21.
What is the InChIKey of triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
The InChIKey is AATVCCGIYPUSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BN3Si/c1-5-27(6-2,7-3)22-13-12-17(4)16-19(22)23-25-20-11-9-8-10-18(20)21-14-15-24-26(21)23/h8-16,25H,5-7H2,1-4H3.
What are the key properties of triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane?
triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane has a molecular weight of 373.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-methyl-2-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)phenyl]silane is sourced from PubChem (CID 137295080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).