trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane

C9H17N3O3Si — CID 133058723

IUPACtrimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nccc1[N+](=O)[O-]
InChIInChI=1S/C9H17N3O3Si/c1-16(2,3)7-6-15-8-11-9(12(13)14)4-5-10-11/h4-5H,6-8H2,1-3H3
InChIKeyMRVOVDHJUAKEKG-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.10
Rot. Bonds6

About trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane

trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane (PubChem CID 133058723) has the molecular formula C9H17N3O3Si and a molecular weight of 243.34 g/mol. Its IUPAC name is trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
PubChem CID133058723
Molecular FormulaC9H17N3O3Si
Molecular Weight243.34 g/mol
Exact Mass243.10
IUPAC Nametrimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nccc1[N+](=O)[O-]
InChIInChI=1S/C9H17N3O3Si/c1-16(2,3)7-6-15-8-11-9(12(13)14)4-5-10-11/h4-5H,6-8H2,1-3H3
InChIKeyMRVOVDHJUAKEKG-UHFFFAOYSA-N
XLogP2.10
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.10
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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Related Compounds

2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66614142
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060
1-(2,2-dimethoxyethyl)-5-nitropyrazole
CID 99841595
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
1-(5-nitropyrazol-1-yl)propan-2-ol
CID 130667078
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123351166
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
1-(3,3-diethoxypropyl)-5-nitropyrazole
CID 133060796
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
CID 22018541

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane (CID 133058723) is trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nccc1[N+](=O)[O-].
What is the InChIKey of trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane?
The InChIKey is MRVOVDHJUAKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3Si/c1-16(2,3)7-6-15-8-11-9(12(13)14)4-5-10-11/h4-5H,6-8H2,1-3H3.
What are the key properties of trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane has a molecular weight of 243.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 133058723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).