tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane

C22H28Cl2N4OSi — CID 176828911

IUPACtert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccn(-c2cnc(CCc3c(Cl)cccc3Cl)cn2)n1
InChIInChI=1S/C22H28Cl2N4OSi/c1-22(2,3)30(4,5)29-15-17-11-12-28(27-17)21-14-25-16(13-26-21)9-10-18-19(23)7-6-8-20(18)24/h6-8,11-14H,9-10,15H2,1-5H3
InChIKeyCFVNQBHIFNHESH-UHFFFAOYSA-N
MW463.49 g/mol
LogP6.28
Rot. Bonds7

About tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane

tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane (PubChem CID 176828911) has the molecular formula C22H28Cl2N4OSi and a molecular weight of 463.49 g/mol. Its IUPAC name is tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane
PubChem CID176828911
Molecular FormulaC22H28Cl2N4OSi
Molecular Weight463.49 g/mol
Exact Mass462.14
IUPAC Nametert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccn(-c2cnc(CCc3c(Cl)cccc3Cl)cn2)n1
InChIInChI=1S/C22H28Cl2N4OSi/c1-22(2,3)30(4,5)29-15-17-11-12-28(27-17)21-14-25-16(13-26-21)9-10-18-19(23)7-6-8-20(18)24/h6-8,11-14H,9-10,15H2,1-5H3
InChIKeyCFVNQBHIFNHESH-UHFFFAOYSA-N
XLogP6.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane (CID 176828911) is tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccn(-c2cnc(CCc3c(Cl)cccc3Cl)cn2)n1.
What is the InChIKey of tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane?
The InChIKey is CFVNQBHIFNHESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4OSi/c1-22(2,3)30(4,5)29-15-17-11-12-28(27-17)21-14-25-16(13-26-21)9-10-18-19(23)7-6-8-20(18)24/h6-8,11-14H,9-10,15H2,1-5H3.
What are the key properties of tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane has a molecular weight of 463.49 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[5-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]pyrazol-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 176828911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).