2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane

C17H24FIN2OSi — CID 153434252

IUPAC2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C17H24FIN2OSi/c1-5-15-16(19)17(13-6-8-14(18)9-7-13)20-21(15)12-22-10-11-23(2,3)4/h6-9H,5,10-12H2,1-4H3
InChIKeyWUBRUUSQIDQITQ-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.17
Rot. Bonds7

About 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434252) has the molecular formula C17H24FIN2OSi and a molecular weight of 446.38 g/mol. Its IUPAC name is 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153434252
Molecular FormulaC17H24FIN2OSi
Molecular Weight446.38 g/mol
Exact Mass446.07
IUPAC Name2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C17H24FIN2OSi/c1-5-15-16(19)17(13-6-8-14(18)9-7-13)20-21(15)12-22-10-11-23(2,3)4/h6-9H,5,10-12H2,1-4H3
InChIKeyWUBRUUSQIDQITQ-UHFFFAOYSA-N
XLogP5.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.17
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'}

Analyze 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-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-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434252) is 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WUBRUUSQIDQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FIN2OSi/c1-5-15-16(19)17(13-6-8-14(18)9-7-13)20-21(15)12-22-10-11-23(2,3)4/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 446.38 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).