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

C12H20ClF3N2OSi — CID 68629497

IUPAC2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(CCl)c(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H20ClF3N2OSi/c1-9-10(7-13)11(12(14,15)16)17-18(9)8-19-5-6-20(2,3)4/h5-8H2,1-4H3
InChIKeyIHAPPMOUDVUYPJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.26
Rot. Bonds6

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

2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68629497) has the molecular formula C12H20ClF3N2OSi and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID68629497
Molecular FormulaC12H20ClF3N2OSi
Molecular Weight328.84 g/mol
Exact Mass328.10
IUPAC Name2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(CCl)c(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C12H20ClF3N2OSi/c1-9-10(7-13)11(12(14,15)16)17-18(9)8-19-5-6-20(2,3)4/h5-8H2,1-4H3
InChIKeyIHAPPMOUDVUYPJ-UHFFFAOYSA-N
XLogP4.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 68629497) is 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1c(CCl)c(C(F)(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is IHAPPMOUDVUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClF3N2OSi/c1-9-10(7-13)11(12(14,15)16)17-18(9)8-19-5-6-20(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 328.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68629497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).