2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide

C13H25N3O4Si — CID 156761758

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide
SMILESCO[Si](CCCNC(=O)Cn1nc(C)cc1C)(OC)OC
InChIInChI=1S/C13H25N3O4Si/c1-11-9-12(2)16(15-11)10-13(17)14-7-6-8-21(18-3,19-4)20-5/h9H,6-8,10H2,1-5H3,(H,14,17)
InChIKeyILJOQFGWEMIWPK-UHFFFAOYSA-N
MW315.45 g/mol
LogP0.88
Rot. Bonds9

About 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide (PubChem CID 156761758) has the molecular formula C13H25N3O4Si and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide
PubChem CID156761758
Molecular FormulaC13H25N3O4Si
Molecular Weight315.45 g/mol
Exact Mass315.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide
SMILESCO[Si](CCCNC(=O)Cn1nc(C)cc1C)(OC)OC
InChIInChI=1S/C13H25N3O4Si/c1-11-9-12(2)16(15-11)10-13(17)14-7-6-8-21(18-3,19-4)20-5/h9H,6-8,10H2,1-5H3,(H,14,17)
InChIKeyILJOQFGWEMIWPK-UHFFFAOYSA-N
XLogP0.88
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040075
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
methyl (E)-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]but-2-enoate
CID 118667802
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19517837
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide (CID 156761758) is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide is CO[Si](CCCNC(=O)Cn1nc(C)cc1C)(OC)OC.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide?
The InChIKey is ILJOQFGWEMIWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4Si/c1-11-9-12(2)16(15-11)10-13(17)14-7-6-8-21(18-3,19-4)20-5/h9H,6-8,10H2,1-5H3,(H,14,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide has a molecular weight of 315.45 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide is sourced from PubChem (CID 156761758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).