N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide

C17H33N3O2Si — CID 141377057

IUPACN-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccn(CCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C17H33N3O2Si/c1-8-9-14(2)16(21)18-15-10-11-20(19-15)12-13-22-23(6,7)17(3,4)5/h10-11,14H,8-9,12-13H2,1-7H3,(H,18,19,21)
InChIKeyCUWQVPVPELGLFY-UHFFFAOYSA-N
MW339.56 g/mol
LogP4.28
Rot. Bonds8

About N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide

N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide (PubChem CID 141377057) has the molecular formula C17H33N3O2Si and a molecular weight of 339.56 g/mol. Its IUPAC name is N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide
PubChem CID141377057
Molecular FormulaC17H33N3O2Si
Molecular Weight339.56 g/mol
Exact Mass339.23
IUPAC NameN-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccn(CCO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C17H33N3O2Si/c1-8-9-14(2)16(21)18-15-10-11-20(19-15)12-13-22-23(6,7)17(3,4)5/h10-11,14H,8-9,12-13H2,1-7H3,(H,18,19,21)
InChIKeyCUWQVPVPELGLFY-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide?
The IUPAC name of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide (CID 141377057) is N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide.
What is the SMILES notation for N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide?
The canonical SMILES for N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccn(CCO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide?
The InChIKey is CUWQVPVPELGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2Si/c1-8-9-14(2)16(21)18-15-10-11-20(19-15)12-13-22-23(6,7)17(3,4)5/h10-11,14H,8-9,12-13H2,1-7H3,(H,18,19,21).
What are the key properties of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide?
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide has a molecular weight of 339.56 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-3-yl]-2-methylpentanamide is sourced from PubChem (CID 141377057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).