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

C17H33N3O5SSi — CID 170618623

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCn1nc(OC2CCN(S(C)(=O)=O)C2)cc1CO
InChIInChI=1S/C17H33N3O5SSi/c1-17(2,3)27(5,6)24-10-9-20-14(13-21)11-16(18-20)25-15-7-8-19(12-15)26(4,22)23/h11,15,21H,7-10,12-13H2,1-6H3
InChIKeyNUBZEDUEEKTPJP-UHFFFAOYSA-N
MW419.62 g/mol
LogP1.81
Rot. Bonds8

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

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol (PubChem CID 170618623) has the molecular formula C17H33N3O5SSi and a molecular weight of 419.62 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol
PubChem CID170618623
Molecular FormulaC17H33N3O5SSi
Molecular Weight419.62 g/mol
Exact Mass419.19
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCn1nc(OC2CCN(S(C)(=O)=O)C2)cc1CO
InChIInChI=1S/C17H33N3O5SSi/c1-17(2,3)27(5,6)24-10-9-20-14(13-21)11-16(18-20)25-15-7-8-19(12-15)26(4,22)23/h11,15,21H,7-10,12-13H2,1-6H3
InChIKeyNUBZEDUEEKTPJP-UHFFFAOYSA-N
XLogP1.81
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol (CID 170618623) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol is CC(C)(C)[Si](C)(C)OCCn1nc(OC2CCN(S(C)(=O)=O)C2)cc1CO.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol?
The InChIKey is NUBZEDUEEKTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5SSi/c1-17(2,3)27(5,6)24-10-9-20-14(13-21)11-16(18-20)25-15-7-8-19(12-15)26(4,22)23/h11,15,21H,7-10,12-13H2,1-6H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol has a molecular weight of 419.62 g/mol, XLogP of 1.81, 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-methylsulfonylpyrrolidin-3-yl)oxypyrazol-5-yl]methanol is sourced from PubChem (CID 170618623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).