1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane

C14H21BrN2OSi — CID 68692312

IUPAC1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane
SMILESCCC(OCc1[nH]nc2ccc(Br)cc12)[Si](C)(C)C
InChIInChI=1S/C14H21BrN2OSi/c1-5-14(19(2,3)4)18-9-13-11-8-10(15)6-7-12(11)16-17-13/h6-8,14H,5,9H2,1-4H3,(H,16,17)
InChIKeyCAJPDRPOZZMDGF-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.50
Rot. Bonds5

About 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane

1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane (PubChem CID 68692312) has the molecular formula C14H21BrN2OSi and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane.

Molecular Properties

Compound Name1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane
PubChem CID68692312
Molecular FormulaC14H21BrN2OSi
Molecular Weight341.33 g/mol
Exact Mass340.06
IUPAC Name1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane
SMILESCCC(OCc1[nH]nc2ccc(Br)cc12)[Si](C)(C)C
InChIInChI=1S/C14H21BrN2OSi/c1-5-14(19(2,3)4)18-9-13-11-8-10(15)6-7-12(11)16-17-13/h6-8,14H,5,9H2,1-4H3,(H,16,17)
InChIKeyCAJPDRPOZZMDGF-UHFFFAOYSA-N
XLogP4.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
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 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane?
The IUPAC name of 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane (CID 68692312) is 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane.
What is the SMILES notation for 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane?
The canonical SMILES for 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane is CCC(OCc1[nH]nc2ccc(Br)cc12)[Si](C)(C)C.
What is the InChIKey of 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane?
The InChIKey is CAJPDRPOZZMDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OSi/c1-5-14(19(2,3)4)18-9-13-11-8-10(15)6-7-12(11)16-17-13/h6-8,14H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane?
1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane has a molecular weight of 341.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2H-indazol-3-yl)methoxy]propyl-trimethylsilane is sourced from PubChem (CID 68692312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).