5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione

C12H20N4O3Si — CID 127264184

IUPAC5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione
SMILESC[Si](C)(C)CCOCn1cc(C2NC(=O)NC2=O)cn1
InChIInChI=1S/C12H20N4O3Si/c1-20(2,3)5-4-19-8-16-7-9(6-13-16)10-11(17)15-12(18)14-10/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyQQCCSKIAQFYZLQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.08
Rot. Bonds6

About 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione

5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 127264184) has the molecular formula C12H20N4O3Si and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID127264184
Molecular FormulaC12H20N4O3Si
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione
SMILESC[Si](C)(C)CCOCn1cc(C2NC(=O)NC2=O)cn1
InChIInChI=1S/C12H20N4O3Si/c1-20(2,3)5-4-19-8-16-7-9(6-13-16)10-11(17)15-12(18)14-10/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyQQCCSKIAQFYZLQ-UHFFFAOYSA-N
XLogP1.08
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
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': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione (CID 127264184) is 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione is C[Si](C)(C)CCOCn1cc(C2NC(=O)NC2=O)cn1.
What is the InChIKey of 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is QQCCSKIAQFYZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3Si/c1-20(2,3)5-4-19-8-16-7-9(6-13-16)10-11(17)15-12(18)14-10/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,17,18).
What are the key properties of 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione?
5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 296.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 127264184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).