3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine

C21H27N3OSi — CID 22494882

IUPAC3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(N)cc21
InChIInChI=1S/C21H27N3OSi/c1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16,22H2,1-3H3/b12-9+
InChIKeyHQWPKLRJOBUFDO-FMIVXFBMSA-N
MW365.55 g/mol
LogP5.10
Rot. Bonds7

About 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine

3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (PubChem CID 22494882) has the molecular formula C21H27N3OSi and a molecular weight of 365.55 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
PubChem CID22494882
Molecular FormulaC21H27N3OSi
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(N)cc21
InChIInChI=1S/C21H27N3OSi/c1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16,22H2,1-3H3/b12-9+
InChIKeyHQWPKLRJOBUFDO-FMIVXFBMSA-N
XLogP5.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The IUPAC name of 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (CID 22494882) is 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(N)cc21.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The InChIKey is HQWPKLRJOBUFDO-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H27N3OSi/c1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16,22H2,1-3H3/b12-9+.
What are the key properties of 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine has a molecular weight of 365.55 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is sourced from PubChem (CID 22494882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).