5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

C15H22BrClN4OSi — CID 171630240

IUPAC5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(Cl)c(N)c1-c1cc(Br)ccc1N
InChIInChI=1S/C15H22BrClN4OSi/c1-23(2,3)7-6-22-9-21-14(13(19)15(17)20-21)11-8-10(16)4-5-12(11)18/h4-5,8H,6-7,9,18-19H2,1-3H3
InChIKeyOJMUMOAPUJBBAY-UHFFFAOYSA-N
MW417.81 g/mol
LogP4.44
Rot. Bonds6

About 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 171630240) has the molecular formula C15H22BrClN4OSi and a molecular weight of 417.81 g/mol. Its IUPAC name is 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID171630240
Molecular FormulaC15H22BrClN4OSi
Molecular Weight417.81 g/mol
Exact Mass416.04
IUPAC Name5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(Cl)c(N)c1-c1cc(Br)ccc1N
InChIInChI=1S/C15H22BrClN4OSi/c1-23(2,3)7-6-22-9-21-14(13(19)15(17)20-21)11-8-10(16)4-5-12(11)18/h4-5,8H,6-7,9,18-19H2,1-3H3
InChIKeyOJMUMOAPUJBBAY-UHFFFAOYSA-N
XLogP4.44
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 54.44
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)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 171630240) is 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1nc(Cl)c(N)c1-c1cc(Br)ccc1N.
What is the InChIKey of 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is OJMUMOAPUJBBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN4OSi/c1-23(2,3)7-6-22-9-21-14(13(19)15(17)20-21)11-8-10(16)4-5-12(11)18/h4-5,8H,6-7,9,18-19H2,1-3H3.
What are the key properties of 5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-(2-amino-5-bromophenyl)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 417.81 g/mol, XLogP of 4.44, 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)-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 171630240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).