trimethyl-(4-nitro-1H-pyrazol-5-yl)silane

C6H11N3O2Si — CID 14591435

IUPACtrimethyl-(4-nitro-1H-pyrazol-5-yl)silane
SMILESC[Si](C)(C)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H11N3O2Si/c1-12(2,3)6-5(9(10)11)4-7-8-6/h4H,1-3H3,(H,7,8)
InChIKeyGWMXSNLURNFDQQ-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.86
Rot. Bonds2

About trimethyl-(4-nitro-1H-pyrazol-5-yl)silane

trimethyl-(4-nitro-1H-pyrazol-5-yl)silane (PubChem CID 14591435) has the molecular formula C6H11N3O2Si and a molecular weight of 185.26 g/mol. Its IUPAC name is trimethyl-(4-nitro-1H-pyrazol-5-yl)silane.

Molecular Properties

Compound Nametrimethyl-(4-nitro-1H-pyrazol-5-yl)silane
PubChem CID14591435
Molecular FormulaC6H11N3O2Si
Molecular Weight185.26 g/mol
Exact Mass185.06
IUPAC Nametrimethyl-(4-nitro-1H-pyrazol-5-yl)silane
SMILESC[Si](C)(C)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H11N3O2Si/c1-12(2,3)6-5(9(10)11)4-7-8-6/h4H,1-3H3,(H,7,8)
InChIKeyGWMXSNLURNFDQQ-UHFFFAOYSA-N
XLogP0.86
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-nitro-1H-pyrazol-5-yl)silane?
The IUPAC name of trimethyl-(4-nitro-1H-pyrazol-5-yl)silane (CID 14591435) is trimethyl-(4-nitro-1H-pyrazol-5-yl)silane.
What is the SMILES notation for trimethyl-(4-nitro-1H-pyrazol-5-yl)silane?
The canonical SMILES for trimethyl-(4-nitro-1H-pyrazol-5-yl)silane is C[Si](C)(C)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of trimethyl-(4-nitro-1H-pyrazol-5-yl)silane?
The InChIKey is GWMXSNLURNFDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2Si/c1-12(2,3)6-5(9(10)11)4-7-8-6/h4H,1-3H3,(H,7,8).
What are the key properties of trimethyl-(4-nitro-1H-pyrazol-5-yl)silane?
trimethyl-(4-nitro-1H-pyrazol-5-yl)silane has a molecular weight of 185.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-nitro-1H-pyrazol-5-yl)silane is sourced from PubChem (CID 14591435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).