[1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane

C13H25BrN2OSi — CID 154722544

IUPAC[1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(Cn1cc(Br)cn1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25BrN2OSi/c1-12(2,3)18(6,7)17-13(4,5)10-16-9-11(14)8-15-16/h8-9H,10H2,1-7H3
InChIKeyJJDOZTLXBYWHPJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.45
Rot. Bonds4

About [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane

[1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 154722544) has the molecular formula C13H25BrN2OSi and a molecular weight of 333.35 g/mol. Its IUPAC name is [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID154722544
Molecular FormulaC13H25BrN2OSi
Molecular Weight333.35 g/mol
Exact Mass332.09
IUPAC Name[1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(Cn1cc(Br)cn1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25BrN2OSi/c1-12(2,3)18(6,7)17-13(4,5)10-16-9-11(14)8-15-16/h8-9H,10H2,1-7H3
InChIKeyJJDOZTLXBYWHPJ-UHFFFAOYSA-N
XLogP4.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-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 [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane (CID 154722544) is [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(Cn1cc(Br)cn1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JJDOZTLXBYWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2OSi/c1-12(2,3)18(6,7)17-13(4,5)10-16-9-11(14)8-15-16/h8-9H,10H2,1-7H3.
What are the key properties of [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane?
[1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 333.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromopyrazol-1-yl)-2-methylpropan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154722544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).