2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C18H26F3N2O3PSi — CID 135066178

IUPAC2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(c1ccccc1)c1cc(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C18H26F3N2O3PSi/c1-5-26-27(24,15-9-7-6-8-10-15)17-13-16(18(19,20)21)22-23(17)14-25-11-12-28(2,3)4/h6-10,13H,5,11-12,14H2,1-4H3
InChIKeyCVMRQXARAOFZEI-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.48
Rot. Bonds9

About 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135066178) has the molecular formula C18H26F3N2O3PSi and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135066178
Molecular FormulaC18H26F3N2O3PSi
Molecular Weight434.47 g/mol
Exact Mass434.14
IUPAC Name2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(c1ccccc1)c1cc(C(F)(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C18H26F3N2O3PSi/c1-5-26-27(24,15-9-7-6-8-10-15)17-13-16(18(19,20)21)22-23(17)14-25-11-12-28(2,3)4/h6-10,13H,5,11-12,14H2,1-4H3
InChIKeyCVMRQXARAOFZEI-UHFFFAOYSA-N
XLogP4.48
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Diethoxyphosphoryl-1-phenyl-3-(trifluoromethyl)pyrazole
CID 164667314
3-Diethoxyphosphoryl-1-phenyl-5-(trifluoromethyl)pyrazole
CID 164667322
2-[[5-[Ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135066077
2-[[3-[Ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135066078
3-[Ethoxy(phenyl)phosphoryl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135066177
1-(2-Diphenylphosphoryloxyethyl)-3,5-dimethylpyrazole
CID 12035827

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135066178) is 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCOP(=O)(c1ccccc1)c1cc(C(F)(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CVMRQXARAOFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N2O3PSi/c1-5-26-27(24,15-9-7-6-8-10-15)17-13-16(18(19,20)21)22-23(17)14-25-11-12-28(2,3)4/h6-10,13H,5,11-12,14H2,1-4H3.
What are the key properties of 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 434.47 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[ethoxy(phenyl)phosphoryl]-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135066178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).