[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol

C13H25IN2O2Si — CID 170617962

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol
SMILESCc1c(I)c(CO)nn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IN2O2Si/c1-10-12(14)11(9-17)15-16(10)7-8-18-19(5,6)13(2,3)4/h17H,7-9H2,1-6H3
InChIKeyZSJYGUAXQZDARZ-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.31
Rot. Bonds5

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol (PubChem CID 170617962) has the molecular formula C13H25IN2O2Si and a molecular weight of 396.35 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol
PubChem CID170617962
Molecular FormulaC13H25IN2O2Si
Molecular Weight396.35 g/mol
Exact Mass396.07
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol
SMILESCc1c(I)c(CO)nn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IN2O2Si/c1-10-12(14)11(9-17)15-16(10)7-8-18-19(5,6)13(2,3)4/h17H,7-9H2,1-6H3
InChIKeyZSJYGUAXQZDARZ-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol (CID 170617962) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol is Cc1c(I)c(CO)nn1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol?
The InChIKey is ZSJYGUAXQZDARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IN2O2Si/c1-10-12(14)11(9-17)15-16(10)7-8-18-19(5,6)13(2,3)4/h17H,7-9H2,1-6H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol has a molecular weight of 396.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 170617962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).