1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid

C14H20N2O3Si — CID 156717889

IUPAC1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
SMILESC[Si](C)(C)CCOCn1ncc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H20N2O3Si/c1-20(2,3)7-6-19-10-16-13-5-4-11(14(17)18)8-12(13)9-15-16/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyJHMRELJRQZMLNN-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid

1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid (PubChem CID 156717889) has the molecular formula C14H20N2O3Si and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
PubChem CID156717889
Molecular FormulaC14H20N2O3Si
Molecular Weight292.41 g/mol
Exact Mass292.12
IUPAC Name1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
SMILESC[Si](C)(C)CCOCn1ncc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H20N2O3Si/c1-20(2,3)7-6-19-10-16-13-5-4-11(14(17)18)8-12(13)9-15-16/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyJHMRELJRQZMLNN-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid (CID 156717889) is 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid is C[Si](C)(C)CCOCn1ncc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid?
The InChIKey is JHMRELJRQZMLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3Si/c1-20(2,3)7-6-19-10-16-13-5-4-11(14(17)18)8-12(13)9-15-16/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid?
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid has a molecular weight of 292.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 156717889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).