(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane

C11H22N2Si — CID 155787917

IUPAC(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane
SMILESCn1nc([Si](C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C11H22N2Si/c1-11(2,3)9-8-10(12-13(9)4)14(5,6)7/h8H,1-7H3
InChIKeyHLFJWGDLUROBNM-UHFFFAOYSA-N
MW210.40 g/mol
LogP2.26
Rot. Bonds1

About (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane

(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane (PubChem CID 155787917) has the molecular formula C11H22N2Si and a molecular weight of 210.40 g/mol. Its IUPAC name is (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane
PubChem CID155787917
Molecular FormulaC11H22N2Si
Molecular Weight210.40 g/mol
Exact Mass210.16
IUPAC Name(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane
SMILESCn1nc([Si](C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C11H22N2Si/c1-11(2,3)9-8-10(12-13(9)4)14(5,6)7/h8H,1-7H3
InChIKeyHLFJWGDLUROBNM-UHFFFAOYSA-N
XLogP2.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane?
The IUPAC name of (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane (CID 155787917) is (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane.
What is the SMILES notation for (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane?
The canonical SMILES for (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane is Cn1nc([Si](C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane?
The InChIKey is HLFJWGDLUROBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2Si/c1-11(2,3)9-8-10(12-13(9)4)14(5,6)7/h8H,1-7H3.
What are the key properties of (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane?
(5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane has a molecular weight of 210.40 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-methylpyrazol-3-yl)-trimethylsilane is sourced from PubChem (CID 155787917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).