2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

C21H43FN2OSiSn — CID 175449028

IUPAC2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnn(COCC[Si](C)(C)C)c1F
InChIInChI=1S/C9H16FN2OSi.3C4H9.Sn/c1-14(2,3)7-6-13-8-12-9(10)4-5-11-12;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyDSCPCISTXUCHMV-UHFFFAOYSA-N
MW505.38 g/mol
LogP6.39
Rot. Bonds15

About 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 175449028) has the molecular formula C21H43FN2OSiSn and a molecular weight of 505.38 g/mol. Its IUPAC name is 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID175449028
Molecular FormulaC21H43FN2OSiSn
Molecular Weight505.38 g/mol
Exact Mass506.22
IUPAC Name2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnn(COCC[Si](C)(C)C)c1F
InChIInChI=1S/C9H16FN2OSi.3C4H9.Sn/c1-14(2,3)7-6-13-8-12-9(10)4-5-11-12;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyDSCPCISTXUCHMV-UHFFFAOYSA-N
XLogP6.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.38
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trimethyl-[2-[(5-tributylstannylimidazol-1-yl)methoxy]ethyl]silane
CID 171532445
trimethyl-[2-[(3-tributylstannylindol-1-yl)methoxy]ethyl]silane
CID 177464058
trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane
CID 22031298
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90419544
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
trimethyl-[2-[(2-tributylstannyl-3-pyridinyl)oxymethoxy]ethyl]silane
CID 175958741
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
CID 171832869
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 175449028) is 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is CCCC[Sn](CCCC)(CCCC)c1cnn(COCC[Si](C)(C)C)c1F.
What is the InChIKey of 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is DSCPCISTXUCHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN2OSi.3C4H9.Sn/c1-14(2,3)7-6-13-8-12-9(10)4-5-11-12;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 505.38 g/mol, XLogP of 6.39, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175449028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).