tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane

C16H25FN2OSi — CID 156665642

IUPACtert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C2CC=NN2)c1F
InChIInChI=1S/C16H25FN2OSi/c1-16(2,3)21(4,5)20-11-12-7-6-8-13(15(12)17)14-9-10-18-19-14/h6-8,10,14,19H,9,11H2,1-5H3
InChIKeyZPNHXSZPQZHFTH-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane

tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane (PubChem CID 156665642) has the molecular formula C16H25FN2OSi and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane
PubChem CID156665642
Molecular FormulaC16H25FN2OSi
Molecular Weight308.47 g/mol
Exact Mass308.17
IUPAC Nametert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C2CC=NN2)c1F
InChIInChI=1S/C16H25FN2OSi/c1-16(2,3)21(4,5)20-11-12-7-6-8-13(15(12)17)14-9-10-18-19-14/h6-8,10,14,19H,9,11H2,1-5H3
InChIKeyZPNHXSZPQZHFTH-UHFFFAOYSA-N
XLogP4.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane (CID 156665642) is tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(C2CC=NN2)c1F.
What is the InChIKey of tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane?
The InChIKey is ZPNHXSZPQZHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2OSi/c1-16(2,3)21(4,5)20-11-12-7-6-8-13(15(12)17)14-9-10-18-19-14/h6-8,10,14,19H,9,11H2,1-5H3.
What are the key properties of tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane has a molecular weight of 308.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 156665642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).