2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane

C17H25N3O4Si — CID 155574757

IUPAC2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=C(OCC)c1nn(COCC[Si](C)(C)C)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H25N3O4Si/c1-6-24-13(2)17-15-11-14(20(21)22)7-8-16(15)19(18-17)12-23-9-10-25(3,4)5/h7-8,11H,2,6,9-10,12H2,1,3-5H3
InChIKeyUXOGEYROEMAHMZ-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.26
Rot. Bonds9

About 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 155574757) has the molecular formula C17H25N3O4Si and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID155574757
Molecular FormulaC17H25N3O4Si
Molecular Weight363.49 g/mol
Exact Mass363.16
IUPAC Name2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=C(OCC)c1nn(COCC[Si](C)(C)C)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H25N3O4Si/c1-6-24-13(2)17-15-11-14(20(21)22)7-8-16(15)19(18-17)12-23-9-10-25(3,4)5/h7-8,11H,2,6,9-10,12H2,1,3-5H3
InChIKeyUXOGEYROEMAHMZ-UHFFFAOYSA-N
XLogP4.26
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Related Compounds

5-Nitro-3-pentoxy-1-pentylindazole
CID 51357316
1-Methyl-5-nitro-3-(2-phenylethoxy)indazole
CID 71449538
2-[2-(3-methoxy-5-nitroindazol-1-yl)ethoxy]-N,N-dimethylethanamine;hydrochloride
CID 44582989
2-Methyl-5-nitro-3-propoxyindazole
CID 71449535
2-Methyl-5-nitro-3-propan-2-yloxyindazole
CID 71460349
3-[4-Fluoro-3-(methoxymethyl)phenyl]-1-methyl-5-nitroindazole
CID 57685781
2-[2-(3-methoxy-5-nitroindazol-1-yl)ethoxy]-N,N-dimethylethanamine
CID 44582990
3-Ethoxy-1-methyl-5-nitroindazole
CID 9813252
(3-nitrophenyl)-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanol
CID 21877274
3-(1,1-dimethoxy-methyl)-6-iodo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 21877298
2-[[3-(Dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22486242
2-[(1-Benzyl-5-nitroindazol-3-yl)methoxy]-2-methylpropanoic acid
CID 44199381

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 155574757) is 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane is C=C(OCC)c1nn(COCC[Si](C)(C)C)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is UXOGEYROEMAHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4Si/c1-6-24-13(2)17-15-11-14(20(21)22)7-8-16(15)19(18-17)12-23-9-10-25(3,4)5/h7-8,11H,2,6,9-10,12H2,1,3-5H3.
What are the key properties of 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 363.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155574757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).