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

C14H27IN2O2Si — CID 172573565

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol
SMILESCCc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C14H27IN2O2Si/c1-7-11-13(15)12(10-18)17(16-11)8-9-19-20(5,6)14(2,3)4/h18H,7-10H2,1-6H3
InChIKeyHCDRYFFCWBNFIH-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.56
Rot. Bonds6

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

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol (PubChem CID 172573565) has the molecular formula C14H27IN2O2Si and a molecular weight of 410.37 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol
PubChem CID172573565
Molecular FormulaC14H27IN2O2Si
Molecular Weight410.37 g/mol
Exact Mass410.09
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol
SMILESCCc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I
InChIInChI=1S/C14H27IN2O2Si/c1-7-11-13(15)12(10-18)17(16-11)8-9-19-20(5,6)14(2,3)4/h18H,7-10H2,1-6H3
InChIKeyHCDRYFFCWBNFIH-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.56
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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Related Compounds

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol
CID 170617962
2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(hydroxymethyl)-4-iodopyrazol-3-yl]oxyacetonitrile
CID 172573659
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-3-yl]methanol
CID 170618563
2-(4-bromo-3-ethylpyrazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 171788500
tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane
CID 151953755
[(2R)-1-[[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methyl-propan-2-ylamino]propan-2-yl] methanesulfonate
CID 175965825
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
CID 165385908
[2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-ethoxy-4-iodopyrazol-3-yl]methanol
CID 174156310
tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane
CID 156635681
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate
CID 170618769
tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
CID 164547420
3,5-diethyl-1-(3-ethylsulfonylpropyl)-4-iodopyrazole
CID 82702565

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol (CID 172573565) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol is CCc1nn(CCO[Si](C)(C)C(C)(C)C)c(CO)c1I.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol?
The InChIKey is HCDRYFFCWBNFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IN2O2Si/c1-7-11-13(15)12(10-18)17(16-11)8-9-19-20(5,6)14(2,3)4/h18H,7-10H2,1-6H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-4-iodopyrazol-5-yl]methanol has a molecular weight of 410.37 g/mol, XLogP of 3.56, 6 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]-3-ethyl-4-iodopyrazol-5-yl]methanol is sourced from PubChem (CID 172573565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).