1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide

C15H29N3O3Si — CID 170987272

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(C)n(CCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C15H29N3O3Si/c1-12-11-13(14(19)17(5)20-6)16-18(12)9-10-21-22(7,8)15(2,3)4/h11H,9-10H2,1-8H3
InChIKeyCQRQUOAJCJBBNF-UHFFFAOYSA-N
MW327.50 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 170987272) has the molecular formula C15H29N3O3Si and a molecular weight of 327.50 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
PubChem CID170987272
Molecular FormulaC15H29N3O3Si
Molecular Weight327.50 g/mol
Exact Mass327.20
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(C)n(CCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C15H29N3O3Si/c1-12-11-13(14(19)17(5)20-6)16-18(12)9-10-21-22(7,8)15(2,3)4/h11H,9-10H2,1-8H3
InChIKeyCQRQUOAJCJBBNF-UHFFFAOYSA-N
XLogP2.85
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide (CID 170987272) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide is CON(C)C(=O)c1cc(C)n(CCO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CQRQUOAJCJBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3Si/c1-12-11-13(14(19)17(5)20-6)16-18(12)9-10-21-22(7,8)15(2,3)4/h11H,9-10H2,1-8H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 327.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 170987272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).