3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

C19H25N3OSi — CID 20580705

IUPAC3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(N)ccc21
InChIInChI=1S/C19H25N3OSi/c1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15/h4-10,13H,11-12,14,20H2,1-3H3
InChIKeyCFPHFXJZSGSKOI-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.60
Rot. Bonds6

About 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (PubChem CID 20580705) has the molecular formula C19H25N3OSi and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
PubChem CID20580705
Molecular FormulaC19H25N3OSi
Molecular Weight339.52 g/mol
Exact Mass339.18
IUPAC Name3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(N)ccc21
InChIInChI=1S/C19H25N3OSi/c1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15/h4-10,13H,11-12,14,20H2,1-3H3
InChIKeyCFPHFXJZSGSKOI-UHFFFAOYSA-N
XLogP4.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.60
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-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The IUPAC name of 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (CID 20580705) is 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.
What is the SMILES notation for 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The canonical SMILES for 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(N)ccc21.
What is the InChIKey of 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The InChIKey is CFPHFXJZSGSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OSi/c1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15/h4-10,13H,11-12,14,20H2,1-3H3.
What are the key properties of 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine has a molecular weight of 339.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is sourced from PubChem (CID 20580705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).