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

C9H17IN2OSi — CID 58659187

IUPAC2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nccc1I
InChIInChI=1S/C9H17IN2OSi/c1-14(2,3)7-6-13-8-12-9(10)4-5-11-12/h4-5H,6-8H2,1-3H3
InChIKeyMDVFNYFBNVELDA-UHFFFAOYSA-N
MW324.24 g/mol
LogP2.80
Rot. Bonds5

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

2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58659187) has the molecular formula C9H17IN2OSi and a molecular weight of 324.24 g/mol. Its IUPAC name is 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58659187
Molecular FormulaC9H17IN2OSi
Molecular Weight324.24 g/mol
Exact Mass324.02
IUPAC Name2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nccc1I
InChIInChI=1S/C9H17IN2OSi/c1-14(2,3)7-6-13-8-12-9(10)4-5-11-12/h4-5H,6-8H2,1-3H3
InChIKeyMDVFNYFBNVELDA-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 58659187) is 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nccc1I.
What is the InChIKey of 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is MDVFNYFBNVELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2OSi/c1-14(2,3)7-6-13-8-12-9(10)4-5-11-12/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 324.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58659187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).