2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane

C13H25BrN2OSi — CID 171788500

IUPAC2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCCc1nn(CCO[Si](C)(C)C(C)(C)C)cc1Br
InChIInChI=1S/C13H25BrN2OSi/c1-7-12-11(14)10-16(15-12)8-9-17-18(5,6)13(2,3)4/h10H,7-9H2,1-6H3
InChIKeyRORGYHUTUUKGPP-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane

2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 171788500) has the molecular formula C13H25BrN2OSi and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID171788500
Molecular FormulaC13H25BrN2OSi
Molecular Weight333.35 g/mol
Exact Mass332.09
IUPAC Name2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCCc1nn(CCO[Si](C)(C)C(C)(C)C)cc1Br
InChIInChI=1S/C13H25BrN2OSi/c1-7-12-11(14)10-16(15-12)8-9-17-18(5,6)13(2,3)4/h10H,7-9H2,1-6H3
InChIKeyRORGYHUTUUKGPP-UHFFFAOYSA-N
XLogP4.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane (CID 171788500) is 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane is CCc1nn(CCO[Si](C)(C)C(C)(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is RORGYHUTUUKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2OSi/c1-7-12-11(14)10-16(15-12)8-9-17-18(5,6)13(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane?
2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 333.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 171788500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).