[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane

C19H29BN2O3Si — CID 24741791

IUPAC[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane
SMILESCOc1ccc(-n2cc([Si](C)(C)C)c(B3OC(C)(C)C(C)(C)O3)n2)cc1
InChIInChI=1S/C19H29BN2O3Si/c1-18(2)19(3,4)25-20(24-18)17-16(26(6,7)8)13-22(21-17)14-9-11-15(23-5)12-10-14/h9-13H,1-8H3
InChIKeySJURUDCUYANIOT-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.73
Rot. Bonds4

About [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane

[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane (PubChem CID 24741791) has the molecular formula C19H29BN2O3Si and a molecular weight of 372.35 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane
PubChem CID24741791
Molecular FormulaC19H29BN2O3Si
Molecular Weight372.35 g/mol
Exact Mass372.20
IUPAC Name[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane
SMILESCOc1ccc(-n2cc([Si](C)(C)C)c(B3OC(C)(C)C(C)(C)O3)n2)cc1
InChIInChI=1S/C19H29BN2O3Si/c1-18(2)19(3,4)25-20(24-18)17-16(26(6,7)8)13-22(21-17)14-9-11-15(23-5)12-10-14/h9-13H,1-8H3
InChIKeySJURUDCUYANIOT-UHFFFAOYSA-N
XLogP2.73
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane?
The IUPAC name of [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane (CID 24741791) is [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane is COc1ccc(-n2cc([Si](C)(C)C)c(B3OC(C)(C)C(C)(C)O3)n2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane?
The InChIKey is SJURUDCUYANIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BN2O3Si/c1-18(2)19(3,4)25-20(24-18)17-16(26(6,7)8)13-22(21-17)14-9-11-15(23-5)12-10-14/h9-13H,1-8H3.
What are the key properties of [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane?
[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane has a molecular weight of 372.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane is sourced from PubChem (CID 24741791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).