2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H23FN2O2Si — CID 140810657

IUPAC2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(F)ccc1-c1cnn(COCC[Si](C)(C)C)c1
InChIInChI=1S/C16H23FN2O2Si/c1-20-16-9-14(17)5-6-15(16)13-10-18-19(11-13)12-21-7-8-22(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyKXPQRKYLMUBNLW-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.01
Rot. Bonds7

About 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140810657) has the molecular formula C16H23FN2O2Si and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140810657
Molecular FormulaC16H23FN2O2Si
Molecular Weight322.46 g/mol
Exact Mass322.15
IUPAC Name2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(F)ccc1-c1cnn(COCC[Si](C)(C)C)c1
InChIInChI=1S/C16H23FN2O2Si/c1-20-16-9-14(17)5-6-15(16)13-10-18-19(11-13)12-21-7-8-22(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyKXPQRKYLMUBNLW-UHFFFAOYSA-N
XLogP4.01
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methyl-6,7-dihydro-[1,4]dioxocino[2,3-d]pyrazole-5,8-dione
CID 140810675
2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810687
butanedioic acid;3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
CID 118864326
2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 145066845
3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 150463736
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162718102
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140810657) is 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(F)ccc1-c1cnn(COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KXPQRKYLMUBNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2Si/c1-20-16-9-14(17)5-6-15(16)13-10-18-19(11-13)12-21-7-8-22(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 322.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140810657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).