ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate

C16H30N2O4Si — CID 170618769

IUPACethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(OCC)nn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30N2O4Si/c1-8-20-14-12-13(15(19)21-9-2)18(17-14)10-11-22-23(6,7)16(3,4)5/h12H,8-11H2,1-7H3
InChIKeyCJMGBJZAOVYHRM-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.48
Rot. Bonds8

About ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate

ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate (PubChem CID 170618769) has the molecular formula C16H30N2O4Si and a molecular weight of 342.51 g/mol. Its IUPAC name is ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate
PubChem CID170618769
Molecular FormulaC16H30N2O4Si
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Nameethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(OCC)nn1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30N2O4Si/c1-8-20-14-12-13(15(19)21-9-2)18(17-14)10-11-22-23(6,7)16(3,4)5/h12H,8-11H2,1-7H3
InChIKeyCJMGBJZAOVYHRM-UHFFFAOYSA-N
XLogP3.48
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate (CID 170618769) is ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate is CCOC(=O)c1cc(OCC)nn1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate?
The InChIKey is CJMGBJZAOVYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4Si/c1-8-20-14-12-13(15(19)21-9-2)18(17-14)10-11-22-23(6,7)16(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate?
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate has a molecular weight of 342.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethoxypyrazole-5-carboxylate is sourced from PubChem (CID 170618769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).