5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

C15H23BrN4OSi — CID 171630317

IUPAC5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Br)ccc1N
InChIInChI=1S/C15H23BrN4OSi/c1-22(2,3)7-6-21-10-20-15(14(18)9-19-20)12-8-11(16)4-5-13(12)17/h4-5,8-9H,6-7,10,17-18H2,1-3H3
InChIKeyWCQRECCJWCYDOA-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.79
Rot. Bonds6

About 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 171630317) has the molecular formula C15H23BrN4OSi and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID171630317
Molecular FormulaC15H23BrN4OSi
Molecular Weight383.37 g/mol
Exact Mass382.08
IUPAC Name5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Br)ccc1N
InChIInChI=1S/C15H23BrN4OSi/c1-22(2,3)7-6-21-10-20-15(14(18)9-19-20)12-8-11(16)4-5-13(12)17/h4-5,8-9H,6-7,10,17-18H2,1-3H3
InChIKeyWCQRECCJWCYDOA-UHFFFAOYSA-N
XLogP3.79
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 171630317) is 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Br)ccc1N.
What is the InChIKey of 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is WCQRECCJWCYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4OSi/c1-22(2,3)7-6-21-10-20-15(14(18)9-19-20)12-8-11(16)4-5-13(12)17/h4-5,8-9H,6-7,10,17-18H2,1-3H3.
What are the key properties of 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 383.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-bromophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 171630317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).