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

C10H19N3O4Si — CID 66614142

IUPAC2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc([N+](=O)[O-])n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C10H19N3O4Si/c1-16-9-7-10(13(14)15)12(11-9)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyANLPQDODTLFYKA-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.11
Rot. Bonds7

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

2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 66614142) has the molecular formula C10H19N3O4Si and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID66614142
Molecular FormulaC10H19N3O4Si
Molecular Weight273.37 g/mol
Exact Mass273.11
IUPAC Name2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc([N+](=O)[O-])n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C10H19N3O4Si/c1-16-9-7-10(13(14)15)12(11-9)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyANLPQDODTLFYKA-UHFFFAOYSA-N
XLogP2.11
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
2-[[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-5-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 175018323
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 66614142) is 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane is COc1cc([N+](=O)[O-])n(COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ANLPQDODTLFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4Si/c1-16-9-7-10(13(14)15)12(11-9)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 273.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66614142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).