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

C15H29IN2O3Si — CID 172573605

IUPAC[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol
SMILESCC(C)Oc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C15H29IN2O3Si/c1-11(2)21-14-13(16)12(10-19)18(17-14)8-9-20-22(6,7)15(3,4)5/h11,19H,8-10H2,1-7H3
InChIKeyQXIDPJDBQRCVIL-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.79
Rot. Bonds7

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

[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol (PubChem CID 172573605) has the molecular formula C15H29IN2O3Si and a molecular weight of 440.40 g/mol. Its IUPAC name is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol
PubChem CID172573605
Molecular FormulaC15H29IN2O3Si
Molecular Weight440.40 g/mol
Exact Mass440.10
IUPAC Name[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol
SMILESCC(C)Oc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C15H29IN2O3Si/c1-11(2)21-14-13(16)12(10-19)18(17-14)8-9-20-22(6,7)15(3,4)5/h11,19H,8-10H2,1-7H3
InChIKeyQXIDPJDBQRCVIL-UHFFFAOYSA-N
XLogP3.79
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.79
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]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol?
The IUPAC name of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol (CID 172573605) is [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol.
What is the SMILES notation for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol?
The canonical SMILES for [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol is CC(C)Oc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I.
What is the InChIKey of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol?
The InChIKey is QXIDPJDBQRCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29IN2O3Si/c1-11(2)21-14-13(16)12(10-19)18(17-14)8-9-20-22(6,7)15(3,4)5/h11,19H,8-10H2,1-7H3.
What are the key properties of [2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol?
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol has a molecular weight of 440.40 g/mol, XLogP of 3.79, 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]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methanol is sourced from PubChem (CID 172573605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).