1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone

C16H30N2O3Si — CID 170618008

IUPAC1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(OC(C)C)nn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30N2O3Si/c1-12(2)21-15-11-14(13(3)19)18(17-15)9-10-20-22(7,8)16(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyMHSKILGWOICEHC-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.89
Rot. Bonds7

About 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone

1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone (PubChem CID 170618008) has the molecular formula C16H30N2O3Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone
PubChem CID170618008
Molecular FormulaC16H30N2O3Si
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(OC(C)C)nn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30N2O3Si/c1-12(2)21-15-11-14(13(3)19)18(17-15)9-10-20-22(7,8)16(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyMHSKILGWOICEHC-UHFFFAOYSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone?
The IUPAC name of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone (CID 170618008) is 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone is CC(=O)c1cc(OC(C)C)nn1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone?
The InChIKey is MHSKILGWOICEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3Si/c1-12(2)21-15-11-14(13(3)19)18(17-15)9-10-20-22(7,8)16(4,5)6/h11-12H,9-10H2,1-8H3.
What are the key properties of 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone?
1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone has a molecular weight of 326.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-propan-2-yloxypyrazol-5-yl]ethanone is sourced from PubChem (CID 170618008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).