2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane

C15H20ClN3O3Si — CID 123351166

IUPAC2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O3Si/c1-23(2,3)8-7-22-11-18-15(14(10-17-18)19(20)21)12-5-4-6-13(16)9-12/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyQMJSHRNQYUXCQU-UHFFFAOYSA-N
MW353.88 g/mol
LogP4.42
Rot. Bonds7

About 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123351166) has the molecular formula C15H20ClN3O3Si and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123351166
Molecular FormulaC15H20ClN3O3Si
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O3Si/c1-23(2,3)8-7-22-11-18-15(14(10-17-18)19(20)21)12-5-4-6-13(16)9-12/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyQMJSHRNQYUXCQU-UHFFFAOYSA-N
XLogP4.42
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123351166) is 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QMJSHRNQYUXCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3Si/c1-23(2,3)8-7-22-11-18-15(14(10-17-18)19(20)21)12-5-4-6-13(16)9-12/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 353.88 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123351166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).