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

C17H27N2O3PSi — CID 135066077

IUPAC2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(c1ccccc1)c1ccnn1COCC[Si](C)(C)C
InChIInChI=1S/C17H27N2O3PSi/c1-5-22-23(20,16-9-7-6-8-10-16)17-11-12-18-19(17)15-21-13-14-24(2,3)4/h6-12H,5,13-15H2,1-4H3
InChIKeyVMCMALFPYPNYKC-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.46
Rot. Bonds9

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

2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135066077) has the molecular formula C17H27N2O3PSi and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135066077
Molecular FormulaC17H27N2O3PSi
Molecular Weight366.47 g/mol
Exact Mass366.15
IUPAC Name2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(c1ccccc1)c1ccnn1COCC[Si](C)(C)C
InChIInChI=1S/C17H27N2O3PSi/c1-5-22-23(20,16-9-7-6-8-10-16)17-11-12-18-19(17)15-21-13-14-24(2,3)4/h6-12H,5,13-15H2,1-4H3
InChIKeyVMCMALFPYPNYKC-UHFFFAOYSA-N
XLogP3.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135066077) is 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCOP(=O)(c1ccccc1)c1ccnn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VMCMALFPYPNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N2O3PSi/c1-5-22-23(20,16-9-7-6-8-10-16)17-11-12-18-19(17)15-21-13-14-24(2,3)4/h6-12H,5,13-15H2,1-4H3.
What are the key properties of 2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[ethoxy(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 366.47 g/mol, XLogP of 3.46, 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]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135066077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).