triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane

C13H25N3O3Si — CID 170994278

IUPACtriethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(C)(C)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H25N3O3Si/c1-6-20(7-2,8-3)19-13(4,5)11-15-10-12(9-14-15)16(17)18/h9-10H,6-8,11H2,1-5H3
InChIKeyHLNRFBLEZLZGAL-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.59
Rot. Bonds8

About triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane

triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane (PubChem CID 170994278) has the molecular formula C13H25N3O3Si and a molecular weight of 299.45 g/mol. Its IUPAC name is triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane
PubChem CID170994278
Molecular FormulaC13H25N3O3Si
Molecular Weight299.45 g/mol
Exact Mass299.17
IUPAC Nametriethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane
SMILESCC[Si](CC)(CC)OC(C)(C)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H25N3O3Si/c1-6-20(7-2,8-3)19-13(4,5)11-15-10-12(9-14-15)16(17)18/h9-10H,6-8,11H2,1-5H3
InChIKeyHLNRFBLEZLZGAL-UHFFFAOYSA-N
XLogP3.59
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-nitropyrazole
CID 50999673
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
4-nitro-1-octylpyrazole
CID 50999936
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 65110193
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
ethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 4773128
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
N-methyl-2-[(4-nitropyrazol-1-yl)methyl]prop-2-en-1-amine
CID 103071513
methyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 124527649

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane?
The IUPAC name of triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane (CID 170994278) is triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane.
What is the SMILES notation for triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane?
The canonical SMILES for triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane is CC[Si](CC)(CC)OC(C)(C)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane?
The InChIKey is HLNRFBLEZLZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3Si/c1-6-20(7-2,8-3)19-13(4,5)11-15-10-12(9-14-15)16(17)18/h9-10H,6-8,11H2,1-5H3.
What are the key properties of triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane?
triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane has a molecular weight of 299.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-methyl-1-(4-nitropyrazol-1-yl)propan-2-yl]oxysilane is sourced from PubChem (CID 170994278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).