2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol

C31H39N3O2Si — CID 22574414

IUPAC2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
SMILESCN(CC(O)c1ccnn1COCC[Si](C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H39N3O2Si/c1-33(24-30(35)29-20-21-32-34(29)25-36-22-23-37(2,3)4)31(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-21,30,35H,22-25H2,1-4H3
InChIKeyZAWQENROKRVHKI-UHFFFAOYSA-N
MW513.76 g/mol
LogP6.15
Rot. Bonds12

About 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol

2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol (PubChem CID 22574414) has the molecular formula C31H39N3O2Si and a molecular weight of 513.76 g/mol. Its IUPAC name is 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
PubChem CID22574414
Molecular FormulaC31H39N3O2Si
Molecular Weight513.76 g/mol
Exact Mass513.28
IUPAC Name2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
SMILESCN(CC(O)c1ccnn1COCC[Si](C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H39N3O2Si/c1-33(24-30(35)29-20-21-32-34(29)25-36-22-23-37(2,3)4)31(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-21,30,35H,22-25H2,1-4H3
InChIKeyZAWQENROKRVHKI-UHFFFAOYSA-N
XLogP6.15
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.76
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol (CID 22574414) is 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol is CN(CC(O)c1ccnn1COCC[Si](C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
The InChIKey is ZAWQENROKRVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2Si/c1-33(24-30(35)29-20-21-32-34(29)25-36-22-23-37(2,3)4)31(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-21,30,35H,22-25H2,1-4H3.
What are the key properties of 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol has a molecular weight of 513.76 g/mol, XLogP of 6.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 22574414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).