1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione

C18H24N2O2Si2 — CID 10737009

IUPAC1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(C#C[Si](C)(C)C)c(=O)n2c(=O)c(C#C[Si](C)(C)C)c(C)n12
InChIInChI=1S/C18H24N2O2Si2/c1-13-15(9-11-23(3,4)5)17(21)20-18(22)16(14(2)19(13)20)10-12-24(6,7)8/h1-8H3
InChIKeyOAMUNIZLYLKFFU-UHFFFAOYSA-N
MW356.57 g/mol
LogP2.27
Rot. Bonds

About 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione

1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione (PubChem CID 10737009) has the molecular formula C18H24N2O2Si2 and a molecular weight of 356.57 g/mol. Its IUPAC name is 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione.

Molecular Properties

Compound Name1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione
PubChem CID10737009
Molecular FormulaC18H24N2O2Si2
Molecular Weight356.57 g/mol
Exact Mass356.14
IUPAC Name1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione
SMILESCc1c(C#C[Si](C)(C)C)c(=O)n2c(=O)c(C#C[Si](C)(C)C)c(C)n12
InChIInChI=1S/C18H24N2O2Si2/c1-13-15(9-11-23(3,4)5)17(21)20-18(22)16(14(2)19(13)20)10-12-24(6,7)8/h1-8H3
InChIKeyOAMUNIZLYLKFFU-UHFFFAOYSA-N
XLogP2.27
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.57
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione?
The IUPAC name of 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione (CID 10737009) is 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione.
What is the SMILES notation for 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione?
The canonical SMILES for 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione is Cc1c(C#C[Si](C)(C)C)c(=O)n2c(=O)c(C#C[Si](C)(C)C)c(C)n12.
What is the InChIKey of 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione?
The InChIKey is OAMUNIZLYLKFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2Si2/c1-13-15(9-11-23(3,4)5)17(21)20-18(22)16(14(2)19(13)20)10-12-24(6,7)8/h1-8H3.
What are the key properties of 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione?
1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione has a molecular weight of 356.57 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,6-bis(2-trimethylsilylethynyl)pyrazolo[1,2-a]pyrazole-3,5-dione is sourced from PubChem (CID 10737009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).