6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione

C13H22N4O3Si — CID 172697634

IUPAC6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione
SMILESC[Si](C)(C)CCOCn1cc(C2CC(=O)NC(=O)N2)cn1
InChIInChI=1S/C13H22N4O3Si/c1-21(2,3)5-4-20-9-17-8-10(7-14-17)11-6-12(18)16-13(19)15-11/h7-8,11H,4-6,9H2,1-3H3,(H2,15,16,18,19)
InChIKeyCNMCVICBGFZAEW-UHFFFAOYSA-N
MW310.43 g/mol
LogP1.47
Rot. Bonds6

About 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione

6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 172697634) has the molecular formula C13H22N4O3Si and a molecular weight of 310.43 g/mol. Its IUPAC name is 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID172697634
Molecular FormulaC13H22N4O3Si
Molecular Weight310.43 g/mol
Exact Mass310.15
IUPAC Name6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione
SMILESC[Si](C)(C)CCOCn1cc(C2CC(=O)NC(=O)N2)cn1
InChIInChI=1S/C13H22N4O3Si/c1-21(2,3)5-4-20-9-17-8-10(7-14-17)11-6-12(18)16-13(19)15-11/h7-8,11H,4-6,9H2,1-3H3,(H2,15,16,18,19)
InChIKeyCNMCVICBGFZAEW-UHFFFAOYSA-N
XLogP1.47
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 51.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione (CID 172697634) is 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione is C[Si](C)(C)CCOCn1cc(C2CC(=O)NC(=O)N2)cn1.
What is the InChIKey of 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is CNMCVICBGFZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3Si/c1-21(2,3)5-4-20-9-17-8-10(7-14-17)11-6-12(18)16-13(19)15-11/h7-8,11H,4-6,9H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione?
6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 310.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172697634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).