N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide

C17H26N4O4Si — CID 102181796

IUPACN-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
SMILESCCO[Si](CCCNC(=O)Cn1ccc(-c2ccccn2)n1)(OC)OC
InChIInChI=1S/C17H26N4O4Si/c1-4-25-26(23-2,24-3)13-7-11-19-17(22)14-21-12-9-16(20-21)15-8-5-6-10-18-15/h5-6,8-10,12H,4,7,11,13-14H2,1-3H3,(H,19,22)
InChIKeyXHSUMOIMMXWZNO-UHFFFAOYSA-N
MW378.51 g/mol
LogP1.72
Rot. Bonds11

About N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide

N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide (PubChem CID 102181796) has the molecular formula C17H26N4O4Si and a molecular weight of 378.51 g/mol. Its IUPAC name is N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
PubChem CID102181796
Molecular FormulaC17H26N4O4Si
Molecular Weight378.51 g/mol
Exact Mass378.17
IUPAC NameN-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
SMILESCCO[Si](CCCNC(=O)Cn1ccc(-c2ccccn2)n1)(OC)OC
InChIInChI=1S/C17H26N4O4Si/c1-4-25-26(23-2,24-3)13-7-11-19-17(22)14-21-12-9-16(20-21)15-8-5-6-10-18-15/h5-6,8-10,12H,4,7,11,13-14H2,1-3H3,(H,19,22)
InChIKeyXHSUMOIMMXWZNO-UHFFFAOYSA-N
XLogP1.72
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide (CID 102181796) is N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide is CCO[Si](CCCNC(=O)Cn1ccc(-c2ccccn2)n1)(OC)OC.
What is the InChIKey of N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The InChIKey is XHSUMOIMMXWZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4Si/c1-4-25-26(23-2,24-3)13-7-11-19-17(22)14-21-12-9-16(20-21)15-8-5-6-10-18-15/h5-6,8-10,12H,4,7,11,13-14H2,1-3H3,(H,19,22).
What are the key properties of N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide has a molecular weight of 378.51 g/mol, XLogP of 1.72, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 102181796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).