2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C15H30N2O4SSi — CID 142341621

IUPAC2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCCc1c(CCS(C)(=O)=O)cnn1COCC[Si](C)(C)C
InChIInChI=1S/C15H30N2O4SSi/c1-20-8-6-15-14(7-10-22(2,18)19)12-16-17(15)13-21-9-11-23(3,4)5/h12H,6-11,13H2,1-5H3
InChIKeySWOBQRRUFKKUOR-UHFFFAOYSA-N
MW362.57 g/mol
LogP1.97
Rot. Bonds11

About 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142341621) has the molecular formula C15H30N2O4SSi and a molecular weight of 362.57 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142341621
Molecular FormulaC15H30N2O4SSi
Molecular Weight362.57 g/mol
Exact Mass362.17
IUPAC Name2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCCc1c(CCS(C)(=O)=O)cnn1COCC[Si](C)(C)C
InChIInChI=1S/C15H30N2O4SSi/c1-20-8-6-15-14(7-10-22(2,18)19)12-16-17(15)13-21-9-11-23(3,4)5/h12H,6-11,13H2,1-5H3
InChIKeySWOBQRRUFKKUOR-UHFFFAOYSA-N
XLogP1.97
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
CID 66436219
[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
CID 123264105
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595
2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
CID 171832869
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 152639581
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90419544

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 142341621) is 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is COCCc1c(CCS(C)(=O)=O)cnn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SWOBQRRUFKKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4SSi/c1-20-8-6-15-14(7-10-22(2,18)19)12-16-17(15)13-21-9-11-23(3,4)5/h12H,6-11,13H2,1-5H3.
What are the key properties of 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 362.57 g/mol, XLogP of 1.97, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142341621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).