2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C10H17BrF2N2OSi — CID 176911691

IUPAC2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)cc1C(F)F
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-8(10(12)13)6-9(11)14-15/h6,10H,4-5,7H2,1-3H3
InChIKeyVWZZPYHPWXDULG-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.90
Rot. Bonds6

About 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 176911691) has the molecular formula C10H17BrF2N2OSi and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID176911691
Molecular FormulaC10H17BrF2N2OSi
Molecular Weight327.25 g/mol
Exact Mass326.03
IUPAC Name2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)cc1C(F)F
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-8(10(12)13)6-9(11)14-15/h6,10H,4-5,7H2,1-3H3
InChIKeyVWZZPYHPWXDULG-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.90
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-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 176911691) is 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(Br)cc1C(F)F.
What is the InChIKey of 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VWZZPYHPWXDULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF2N2OSi/c1-17(2,3)5-4-16-7-15-8(10(12)13)6-9(11)14-15/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 327.25 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 176911691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).