2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C11H18F3IN2OSi — CID 164792023

IUPAC2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(I)c(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C11H18F3IN2OSi/c1-8-9(15)10(11(12,13)14)16-17(8)7-18-5-6-19(2,3)4/h5-7H2,1-4H3
InChIKeyLGVRYNAIZFLBLS-UHFFFAOYSA-N
MW406.26 g/mol
LogP4.13
Rot. Bonds5

About 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164792023) has the molecular formula C11H18F3IN2OSi and a molecular weight of 406.26 g/mol. Its IUPAC name is 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164792023
Molecular FormulaC11H18F3IN2OSi
Molecular Weight406.26 g/mol
Exact Mass406.02
IUPAC Name2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(I)c(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C11H18F3IN2OSi/c1-8-9(15)10(11(12,13)14)16-17(8)7-18-5-6-19(2,3)4/h5-7H2,1-4H3
InChIKeyLGVRYNAIZFLBLS-UHFFFAOYSA-N
XLogP4.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 54.13
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164792023) is 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1c(I)c(C(F)(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LGVRYNAIZFLBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3IN2OSi/c1-8-9(15)10(11(12,13)14)16-17(8)7-18-5-6-19(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 406.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-iodo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164792023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).