[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid

C11H23BN2O5Si — CID 175420636

IUPAC[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid
SMILESCOCc1cn(COCC[Si](C)(C)C)nc1OB(O)O
InChIInChI=1S/C11H23BN2O5Si/c1-17-8-10-7-14(13-11(10)19-12(15)16)9-18-5-6-20(2,3)4/h7,15-16H,5-6,8-9H2,1-4H3
InChIKeyOYYAVWCUEAVOKX-UHFFFAOYSA-N
MW302.21 g/mol
LogP0.69
Rot. Bonds9

About [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid

[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid (PubChem CID 175420636) has the molecular formula C11H23BN2O5Si and a molecular weight of 302.21 g/mol. Its IUPAC name is [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid.

Molecular Properties

Compound Name[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid
PubChem CID175420636
Molecular FormulaC11H23BN2O5Si
Molecular Weight302.21 g/mol
Exact Mass302.15
IUPAC Name[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid
SMILESCOCc1cn(COCC[Si](C)(C)C)nc1OB(O)O
InChIInChI=1S/C11H23BN2O5Si/c1-17-8-10-7-14(13-11(10)19-12(15)16)9-18-5-6-20(2,3)4/h7,15-16H,5-6,8-9H2,1-4H3
InChIKeyOYYAVWCUEAVOKX-UHFFFAOYSA-N
XLogP0.69
TPSA85.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
CID 171799512
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate
CID 91011564
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 172513760
[4-amino-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]oxyboronic acid
CID 156758564
methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 166173802

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid?
The IUPAC name of [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid (CID 175420636) is [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid.
What is the SMILES notation for [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid?
The canonical SMILES for [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid is COCc1cn(COCC[Si](C)(C)C)nc1OB(O)O.
What is the InChIKey of [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid?
The InChIKey is OYYAVWCUEAVOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BN2O5Si/c1-17-8-10-7-14(13-11(10)19-12(15)16)9-18-5-6-20(2,3)4/h7,15-16H,5-6,8-9H2,1-4H3.
What are the key properties of [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid?
[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid has a molecular weight of 302.21 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]oxyboronic acid is sourced from PubChem (CID 175420636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).