2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane

C11H21BrN2OSi — CID 46739778

IUPAC2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(Br)cn1
InChIInChI=1S/C11H21BrN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3
InChIKeyQPJSLFGBOVFHAF-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane

2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 46739778) has the molecular formula C11H21BrN2OSi and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID46739778
Molecular FormulaC11H21BrN2OSi
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(Br)cn1
InChIInChI=1S/C11H21BrN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3
InChIKeyQPJSLFGBOVFHAF-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane (CID 46739778) is 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is QPJSLFGBOVFHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 305.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 46739778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).