[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol

C15H29IN2O3Si — CID 174156310

IUPAC[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
SMILESCCOc1nn(C(C)CO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C15H29IN2O3Si/c1-8-20-14-13(16)12(9-19)18(17-14)11(2)10-21-22(6,7)15(3,4)5/h11,19H,8-10H2,1-7H3
InChIKeyQVJJOXHCGFXXGY-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.96
Rot. Bonds7

About [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol

[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol (PubChem CID 174156310) has the molecular formula C15H29IN2O3Si and a molecular weight of 440.40 g/mol. Its IUPAC name is [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
PubChem CID174156310
Molecular FormulaC15H29IN2O3Si
Molecular Weight440.40 g/mol
Exact Mass440.10
IUPAC Name[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
SMILESCCOc1nn(C(C)CO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C15H29IN2O3Si/c1-8-20-14-13(16)12(9-19)18(17-14)11(2)10-21-22(6,7)15(3,4)5/h11,19H,8-10H2,1-7H3
InChIKeyQVJJOXHCGFXXGY-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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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Related Compounds

2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(hydroxymethyl)-4-iodopyrazol-3-yl]oxyacetonitrile
CID 172573659
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol
CID 172573565
2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol
CID 178135932
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-iodo-3-propan-2-yloxypyrazol-1-yl]acetate
CID 170618031
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
CID 66956755
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907

Frequently Asked Questions

What is the IUPAC name of [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
The IUPAC name of [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol (CID 174156310) is [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol.
What is the SMILES notation for [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
The canonical SMILES for [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol is CCOc1nn(C(C)CO[Si](C)(C)C(C)(C)C)c(CO)c1I.
What is the InChIKey of [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
The InChIKey is QVJJOXHCGFXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29IN2O3Si/c1-8-20-14-13(16)12(9-19)18(17-14)11(2)10-21-22(6,7)15(3,4)5/h11,19H,8-10H2,1-7H3.
What are the key properties of [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol?
[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol has a molecular weight of 440.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol is sourced from PubChem (CID 174156310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).