methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate

C11H19N3O5Si — CID 166058271

IUPACmethyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(COCC[Si](C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N3O5Si/c1-18-11(15)9-7-12-13(10(9)14(16)17)8-19-5-6-20(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyRVSKDWBGNKKAOC-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.89
Rot. Bonds7

About methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate

methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate (PubChem CID 166058271) has the molecular formula C11H19N3O5Si and a molecular weight of 301.38 g/mol. Its IUPAC name is methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
PubChem CID166058271
Molecular FormulaC11H19N3O5Si
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Namemethyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(COCC[Si](C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N3O5Si/c1-18-11(15)9-7-12-13(10(9)14(16)17)8-19-5-6-20(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyRVSKDWBGNKKAOC-UHFFFAOYSA-N
XLogP1.89
TPSA96.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
methyl 5-(5-bromo-3-nitro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 156694530
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66614142
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123351166
methyl 6-(2,6-difluoro-3-nitrophenyl)-7-fluoro-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 155711389
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777

Frequently Asked Questions

What is the IUPAC name of methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate (CID 166058271) is methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate is COC(=O)c1cnn(COCC[Si](C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate?
The InChIKey is RVSKDWBGNKKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5Si/c1-18-11(15)9-7-12-13(10(9)14(16)17)8-19-5-6-20(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate?
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 166058271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).