2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane

C13H25N3O4Si — CID 172513760

IUPAC2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC[C@@H](C)Oc1nn(COCC[Si](C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H25N3O4Si/c1-6-11(2)20-13-12(16(17)18)9-15(14-13)10-19-7-8-21(3,4)5/h9,11H,6-8,10H2,1-5H3/t11-/m1/s1
InChIKeyYSACQRKFVMCORM-LLVKDONJSA-N
MW315.45 g/mol
LogP3.28
Rot. Bonds9

About 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 172513760) has the molecular formula C13H25N3O4Si and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID172513760
Molecular FormulaC13H25N3O4Si
Molecular Weight315.45 g/mol
Exact Mass315.16
IUPAC Name2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC[C@@H](C)Oc1nn(COCC[Si](C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H25N3O4Si/c1-6-11(2)20-13-12(16(17)18)9-15(14-13)10-19-7-8-21(3,4)5/h9,11H,6-8,10H2,1-5H3/t11-/m1/s1
InChIKeyYSACQRKFVMCORM-LLVKDONJSA-N
XLogP3.28
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.28
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

2-[[4-[1-(3-fluoro-4-nitropyrazol-1-yl)propyl]-3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 175926413
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate
CID 91011564
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
1-[(3,4-dinitropyrazol-1-yl)methoxymethyl]-3,4-dinitropyrazole
CID 122380420
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
6-butan-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 81437892
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
5-butan-2-yloxy-2-nitroaniline
CID 106752012
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66614142

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 172513760) is 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane is CC[C@@H](C)Oc1nn(COCC[Si](C)(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YSACQRKFVMCORM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O4Si/c1-6-11(2)20-13-12(16(17)18)9-15(14-13)10-19-7-8-21(3,4)5/h9,11H,6-8,10H2,1-5H3/t11-/m1/s1.
What are the key properties of 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 315.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2R)-butan-2-yl]oxy-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 172513760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).