2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H23N3O3Si — CID 67976041

IUPAC2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[Si](C)(C)OCC1Cn2nc(COc3ccccc3)cc2C(=O)N1
InChIInChI=1S/C17H23N3O3Si/c1-24(2,3)23-12-14-10-20-16(17(21)18-14)9-13(19-20)11-22-15-7-5-4-6-8-15/h4-9,14H,10-12H2,1-3H3,(H,18,21)
InChIKeyKEKIUVBOOHIGDJ-UHFFFAOYSA-N
MW345.48 g/mol
LogP2.43
Rot. Bonds6

About 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67976041) has the molecular formula C17H23N3O3Si and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID67976041
Molecular FormulaC17H23N3O3Si
Molecular Weight345.48 g/mol
Exact Mass345.15
IUPAC Name2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[Si](C)(C)OCC1Cn2nc(COc3ccccc3)cc2C(=O)N1
InChIInChI=1S/C17H23N3O3Si/c1-24(2,3)23-12-14-10-20-16(17(21)18-14)9-13(19-20)11-22-15-7-5-4-6-8-15/h4-9,14H,10-12H2,1-3H3,(H,18,21)
InChIKeyKEKIUVBOOHIGDJ-UHFFFAOYSA-N
XLogP2.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 67976041) is 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[Si](C)(C)OCC1Cn2nc(COc3ccccc3)cc2C(=O)N1.
What is the InChIKey of 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KEKIUVBOOHIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3Si/c1-24(2,3)23-12-14-10-20-16(17(21)18-14)9-13(19-20)11-22-15-7-5-4-6-8-15/h4-9,14H,10-12H2,1-3H3,(H,18,21).
What are the key properties of 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 345.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-6-(trimethylsilyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67976041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).