1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol

C19H38N2O2Si — CID 151797335

IUPAC1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(C)c1cc(CO[Si](C)(C)C(C)(C)C)n(CC(O)C(C)(C)C)n1
InChIInChI=1S/C19H38N2O2Si/c1-14(2)16-11-15(13-23-24(9,10)19(6,7)8)21(20-16)12-17(22)18(3,4)5/h11,14,17,22H,12-13H2,1-10H3
InChIKeyRXWKTWPLCOMMQW-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.94
Rot. Bonds6

About 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol

1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 151797335) has the molecular formula C19H38N2O2Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID151797335
Molecular FormulaC19H38N2O2Si
Molecular Weight354.61 g/mol
Exact Mass354.27
IUPAC Name1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(C)c1cc(CO[Si](C)(C)C(C)(C)C)n(CC(O)C(C)(C)C)n1
InChIInChI=1S/C19H38N2O2Si/c1-14(2)16-11-15(13-23-24(9,10)19(6,7)8)21(20-16)12-17(22)18(3,4)5/h11,14,17,22H,12-13H2,1-10H3
InChIKeyRXWKTWPLCOMMQW-UHFFFAOYSA-N
XLogP4.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol 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-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol (CID 151797335) is 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol is CC(C)c1cc(CO[Si](C)(C)C(C)(C)C)n(CC(O)C(C)(C)C)n1.
What is the InChIKey of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is RXWKTWPLCOMMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2Si/c1-14(2)16-11-15(13-23-24(9,10)19(6,7)8)21(20-16)12-17(22)18(3,4)5/h11,14,17,22H,12-13H2,1-10H3.
What are the key properties of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol?
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 354.61 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 151797335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).