2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

C11H21BrN2OSi — CID 66599684

IUPAC2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nn(COCC[Si](C)(C)C)c(C)c1Br
InChIInChI=1S/C11H21BrN2OSi/c1-9-11(12)10(2)14(13-9)8-15-6-7-16(3,4)5/h6-8H2,1-5H3
InChIKeyKOXQJRJEIDVQPA-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.57
Rot. Bonds5

About 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 66599684) has the molecular formula C11H21BrN2OSi and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID66599684
Molecular FormulaC11H21BrN2OSi
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nn(COCC[Si](C)(C)C)c(C)c1Br
InChIInChI=1S/C11H21BrN2OSi/c1-9-11(12)10(2)14(13-9)8-15-6-7-16(3,4)5/h6-8H2,1-5H3
InChIKeyKOXQJRJEIDVQPA-UHFFFAOYSA-N
XLogP3.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 66599684) is 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1nn(COCC[Si](C)(C)C)c(C)c1Br.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is KOXQJRJEIDVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2OSi/c1-9-11(12)10(2)14(13-9)8-15-6-7-16(3,4)5/h6-8H2,1-5H3.
What are the key properties of 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 305.29 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66599684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).