2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

C12H22BrIN2OSi — CID 156733839

IUPAC2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCC(C)c1c(Br)nn(COCC[Si](C)(C)C)c1I
InChIInChI=1S/C12H22BrIN2OSi/c1-9(2)10-11(13)15-16(12(10)14)8-17-6-7-18(3,4)5/h9H,6-8H2,1-5H3
InChIKeyPSACVWFFIMYPEK-UHFFFAOYSA-N
MW445.22 g/mol
LogP4.69
Rot. Bonds6

About 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 156733839) has the molecular formula C12H22BrIN2OSi and a molecular weight of 445.22 g/mol. Its IUPAC name is 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID156733839
Molecular FormulaC12H22BrIN2OSi
Molecular Weight445.22 g/mol
Exact Mass443.97
IUPAC Name2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCC(C)c1c(Br)nn(COCC[Si](C)(C)C)c1I
InChIInChI=1S/C12H22BrIN2OSi/c1-9(2)10-11(13)15-16(12(10)14)8-17-6-7-18(3,4)5/h9H,6-8H2,1-5H3
InChIKeyPSACVWFFIMYPEK-UHFFFAOYSA-N
XLogP4.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.22
LogP ≤ 54.69
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 169114152
[4-iodo-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 170617766
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
5-bromo-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylic acid
CID 175958107
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(3-iodo-2-methoxypyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175229511
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 156733839) is 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is CC(C)c1c(Br)nn(COCC[Si](C)(C)C)c1I.
What is the InChIKey of 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is PSACVWFFIMYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrIN2OSi/c1-9(2)10-11(13)15-16(12(10)14)8-17-6-7-18(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 445.22 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156733839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).