[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid

C10H21BN2O3Si — CID 59333326

IUPAC[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid
SMILESCc1cc(B(O)O)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C10H21BN2O3Si/c1-9-7-10(11(14)15)13(12-9)8-16-5-6-17(2,3)4/h7,14-15H,5-6,8H2,1-4H3
InChIKeyFZIGZDYMYKVDNE-UHFFFAOYSA-N
MW256.19 g/mol
LogP0.18
Rot. Bonds6

About [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid

[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid (PubChem CID 59333326) has the molecular formula C10H21BN2O3Si and a molecular weight of 256.19 g/mol. Its IUPAC name is [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid.

Molecular Properties

Compound Name[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid
PubChem CID59333326
Molecular FormulaC10H21BN2O3Si
Molecular Weight256.19 g/mol
Exact Mass256.14
IUPAC Name[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid
SMILESCc1cc(B(O)O)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C10H21BN2O3Si/c1-9-7-10(11(14)15)13(12-9)8-16-5-6-17(2,3)4/h7,14-15H,5-6,8H2,1-4H3
InChIKeyFZIGZDYMYKVDNE-UHFFFAOYSA-N
XLogP0.18
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid?
The IUPAC name of [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid (CID 59333326) is [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid.
What is the SMILES notation for [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid?
The canonical SMILES for [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid is Cc1cc(B(O)O)n(COCC[Si](C)(C)C)n1.
What is the InChIKey of [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid?
The InChIKey is FZIGZDYMYKVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BN2O3Si/c1-9-7-10(11(14)15)13(12-9)8-16-5-6-17(2,3)4/h7,14-15H,5-6,8H2,1-4H3.
What are the key properties of [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid?
[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid has a molecular weight of 256.19 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid is sourced from PubChem (CID 59333326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).