2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C15H20ClN5OSi — CID 174064420

IUPAC2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(Cl)cn3nccc23)cn1
InChIInChI=1S/C15H20ClN5OSi/c1-23(2,3)7-6-22-11-20-9-12(8-18-20)15-13-4-5-17-21(13)10-14(16)19-15/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyCEXLLODENSNGCE-UHFFFAOYSA-N
MW349.90 g/mol
LogP3.56
Rot. Bonds6

About 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 174064420) has the molecular formula C15H20ClN5OSi and a molecular weight of 349.90 g/mol. Its IUPAC name is 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID174064420
Molecular FormulaC15H20ClN5OSi
Molecular Weight349.90 g/mol
Exact Mass349.11
IUPAC Name2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(Cl)cn3nccc23)cn1
InChIInChI=1S/C15H20ClN5OSi/c1-23(2,3)7-6-22-11-20-9-12(8-18-20)15-13-4-5-17-21(13)10-14(16)19-15/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyCEXLLODENSNGCE-UHFFFAOYSA-N
XLogP3.56
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 174064420) is 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2nc(Cl)cn3nccc23)cn1.
What is the InChIKey of 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CEXLLODENSNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5OSi/c1-23(2,3)7-6-22-11-20-9-12(8-18-20)15-13-4-5-17-21(13)10-14(16)19-15/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 349.90 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 174064420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).