2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H20BrF3N2OSi — CID 141369945

IUPAC2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c(-c2ccccc2Br)n1
InChIInChI=1S/C16H20BrF3N2OSi/c1-24(2,3)9-8-23-11-22-10-13(16(18,19)20)15(21-22)12-6-4-5-7-14(12)17/h4-7,10H,8-9,11H2,1-3H3
InChIKeyVIPVNSWMWBDDBW-UHFFFAOYSA-N
MW421.33 g/mol
LogP5.64
Rot. Bonds6

About 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 141369945) has the molecular formula C16H20BrF3N2OSi and a molecular weight of 421.33 g/mol. Its IUPAC name is 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID141369945
Molecular FormulaC16H20BrF3N2OSi
Molecular Weight421.33 g/mol
Exact Mass420.05
IUPAC Name2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c(-c2ccccc2Br)n1
InChIInChI=1S/C16H20BrF3N2OSi/c1-24(2,3)9-8-23-11-22-10-13(16(18,19)20)15(21-22)12-6-4-5-7-14(12)17/h4-7,10H,8-9,11H2,1-3H3
InChIKeyVIPVNSWMWBDDBW-UHFFFAOYSA-N
XLogP5.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 55.64
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-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 141369945) is 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c(-c2ccccc2Br)n1.
What is the InChIKey of 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VIPVNSWMWBDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrF3N2OSi/c1-24(2,3)9-8-23-11-22-10-13(16(18,19)20)15(21-22)12-6-4-5-7-14(12)17/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 421.33 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-bromophenyl)-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 141369945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).