ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate

C14H26N2O3Si — CID 71015338

IUPACethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H26N2O3Si/c1-7-18-13(17)12-10-15-16(11-12)8-9-19-20(5,6)14(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyOCSXXLQZDZFMIP-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.08
Rot. Bonds6

About ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate

ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate (PubChem CID 71015338) has the molecular formula C14H26N2O3Si and a molecular weight of 298.46 g/mol. Its IUPAC name is ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate
PubChem CID71015338
Molecular FormulaC14H26N2O3Si
Molecular Weight298.46 g/mol
Exact Mass298.17
IUPAC Nameethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H26N2O3Si/c1-7-18-13(17)12-10-15-16(11-12)8-9-19-20(5,6)14(2,3)4/h10-11H,7-9H2,1-6H3
InChIKeyOCSXXLQZDZFMIP-UHFFFAOYSA-N
XLogP3.08
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.08
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 ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate (CID 71015338) is ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate?
The InChIKey is OCSXXLQZDZFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3Si/c1-7-18-13(17)12-10-15-16(11-12)8-9-19-20(5,6)14(2,3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate?
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate has a molecular weight of 298.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 71015338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).