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

C18H35N3O5SSi — CID 170618159

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCn1nc(OC2CCN(S(C)(=O)=O)CC2)cc1CO
InChIInChI=1S/C18H35N3O5SSi/c1-18(2,3)28(5,6)25-12-11-21-15(14-22)13-17(19-21)26-16-7-9-20(10-8-16)27(4,23)24/h13,16,22H,7-12,14H2,1-6H3
InChIKeyDYVFHJPQVFSICV-UHFFFAOYSA-N
MW433.65 g/mol
LogP2.20
Rot. Bonds8

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

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol (PubChem CID 170618159) has the molecular formula C18H35N3O5SSi and a molecular weight of 433.65 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol
PubChem CID170618159
Molecular FormulaC18H35N3O5SSi
Molecular Weight433.65 g/mol
Exact Mass433.21
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCn1nc(OC2CCN(S(C)(=O)=O)CC2)cc1CO
InChIInChI=1S/C18H35N3O5SSi/c1-18(2,3)28(5,6)25-12-11-21-15(14-22)13-17(19-21)26-16-7-9-20(10-8-16)27(4,23)24/h13,16,22H,7-12,14H2,1-6H3
InChIKeyDYVFHJPQVFSICV-UHFFFAOYSA-N
XLogP2.20
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol (CID 170618159) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol is CC(C)(C)[Si](C)(C)OCCn1nc(OC2CCN(S(C)(=O)=O)CC2)cc1CO.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol?
The InChIKey is DYVFHJPQVFSICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O5SSi/c1-18(2,3)28(5,6)25-12-11-21-15(14-22)13-17(19-21)26-16-7-9-20(10-8-16)27(4,23)24/h13,16,22H,7-12,14H2,1-6H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol has a molecular weight of 433.65 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxypyrazol-5-yl]methanol is sourced from PubChem (CID 170618159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).