2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C15H21BrFN3OSi — CID 67295214

IUPAC2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(F)c(-c2ccc(Br)cn2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C15H21BrFN3OSi/c1-11-14(17)15(13-6-5-12(16)9-18-13)19-20(11)10-21-7-8-22(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyQCXTUIUYTVWFCP-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.47
Rot. Bonds6

About 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67295214) has the molecular formula C15H21BrFN3OSi and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67295214
Molecular FormulaC15H21BrFN3OSi
Molecular Weight386.34 g/mol
Exact Mass385.06
IUPAC Name2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(F)c(-c2ccc(Br)cn2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C15H21BrFN3OSi/c1-11-14(17)15(13-6-5-12(16)9-18-13)19-20(11)10-21-7-8-22(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyQCXTUIUYTVWFCP-UHFFFAOYSA-N
XLogP4.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-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-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 67295214) is 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1c(F)c(-c2ccc(Br)cn2)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QCXTUIUYTVWFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3OSi/c1-11-14(17)15(13-6-5-12(16)9-18-13)19-20(11)10-21-7-8-22(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 386.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-bromo-2-pyridinyl)-4-fluoro-5-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67295214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).