2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one

C17H25BrN2O2Si — CID 175953054

IUPAC2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(Br)ccc1-n1ccc(=O)[nH]1
InChIInChI=1S/C17H25BrN2O2Si/c1-17(2,3)23(4,5)22-11-9-13-12-14(18)6-7-15(13)20-10-8-16(21)19-20/h6-8,10,12H,9,11H2,1-5H3,(H,19,21)
InChIKeyNOCKCSCEPIUGDK-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.49
Rot. Bonds5

About 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one

2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one (PubChem CID 175953054) has the molecular formula C17H25BrN2O2Si and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one
PubChem CID175953054
Molecular FormulaC17H25BrN2O2Si
Molecular Weight397.39 g/mol
Exact Mass396.09
IUPAC Name2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(Br)ccc1-n1ccc(=O)[nH]1
InChIInChI=1S/C17H25BrN2O2Si/c1-17(2,3)23(4,5)22-11-9-13-12-14(18)6-7-15(13)20-10-8-16(21)19-20/h6-8,10,12H,9,11H2,1-5H3,(H,19,21)
InChIKeyNOCKCSCEPIUGDK-UHFFFAOYSA-N
XLogP4.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
CID 164858094
2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 71285327
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane
CID 102042705
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10641233
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroinden-1-one
CID 11730047
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]aniline
CID 67239022

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one?
The IUPAC name of 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one (CID 175953054) is 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one is CC(C)(C)[Si](C)(C)OCCc1cc(Br)ccc1-n1ccc(=O)[nH]1.
What is the InChIKey of 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one?
The InChIKey is NOCKCSCEPIUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2Si/c1-17(2,3)23(4,5)22-11-9-13-12-14(18)6-7-15(13)20-10-8-16(21)19-20/h6-8,10,12H,9,11H2,1-5H3,(H,19,21).
What are the key properties of 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one?
2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one has a molecular weight of 397.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one is sourced from PubChem (CID 175953054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).