[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol

C14H27IN2O3Si — CID 170617754

IUPAC[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
SMILESCCOc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C14H27IN2O3Si/c1-7-19-13-12(15)11(10-18)17(16-13)8-9-20-21(5,6)14(2,3)4/h18H,7-10H2,1-6H3
InChIKeyHZMYJFXZHLTABY-UHFFFAOYSA-N
MW426.37 g/mol
LogP3.40
Rot. Bonds7

About [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol

[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol (PubChem CID 170617754) has the molecular formula C14H27IN2O3Si and a molecular weight of 426.37 g/mol. Its IUPAC name is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
PubChem CID170617754
Molecular FormulaC14H27IN2O3Si
Molecular Weight426.37 g/mol
Exact Mass426.08
IUPAC Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
SMILESCCOc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C14H27IN2O3Si/c1-7-19-13-12(15)11(10-18)17(16-13)8-9-20-21(5,6)14(2,3)4/h18H,7-10H2,1-6H3
InChIKeyHZMYJFXZHLTABY-UHFFFAOYSA-N
XLogP3.40
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
The IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol (CID 170617754) is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol.
What is the SMILES notation for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
The canonical SMILES for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol is CCOc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I.
What is the InChIKey of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
The InChIKey is HZMYJFXZHLTABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IN2O3Si/c1-7-19-13-12(15)11(10-18)17(16-13)8-9-20-21(5,6)14(2,3)4/h18H,7-10H2,1-6H3.
What are the key properties of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol has a molecular weight of 426.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethoxy-4-iodopyrazol-3-yl]methanol is sourced from PubChem (CID 170617754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).