(4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane

C9H17BrN2Si — CID 14786898

IUPAC(4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)c1[nH]ncc1Br
InChIInChI=1S/C9H17BrN2Si/c1-9(2,3)13(4,5)8-7(10)6-11-12-8/h6H,1-5H3,(H,11,12)
InChIKeyVRHMEGODHOMJKH-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.89
Rot. Bonds1

About (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane

(4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane (PubChem CID 14786898) has the molecular formula C9H17BrN2Si and a molecular weight of 261.24 g/mol. Its IUPAC name is (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane
PubChem CID14786898
Molecular FormulaC9H17BrN2Si
Molecular Weight261.24 g/mol
Exact Mass260.03
IUPAC Name(4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)c1[nH]ncc1Br
InChIInChI=1S/C9H17BrN2Si/c1-9(2,3)13(4,5)8-7(10)6-11-12-8/h6H,1-5H3,(H,11,12)
InChIKeyVRHMEGODHOMJKH-UHFFFAOYSA-N
XLogP2.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane (CID 14786898) is (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)c1[nH]ncc1Br.
What is the InChIKey of (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane?
The InChIKey is VRHMEGODHOMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2Si/c1-9(2,3)13(4,5)8-7(10)6-11-12-8/h6H,1-5H3,(H,11,12).
What are the key properties of (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane?
(4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane has a molecular weight of 261.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrazol-5-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 14786898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).