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

C16H25BrN4OSi — CID 171630107

IUPAC5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESCc1nn(COCC[Si](C)(C)C)c(-c2cc(Br)ccc2N)c1N
InChIInChI=1S/C16H25BrN4OSi/c1-11-15(19)16(13-9-12(17)5-6-14(13)18)21(20-11)10-22-7-8-23(2,3)4/h5-6,9H,7-8,10,18-19H2,1-4H3
InChIKeyIRVHUWUIQXUYFQ-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.10
Rot. Bonds6

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

5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 171630107) has the molecular formula C16H25BrN4OSi and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID171630107
Molecular FormulaC16H25BrN4OSi
Molecular Weight397.39 g/mol
Exact Mass396.10
IUPAC Name5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESCc1nn(COCC[Si](C)(C)C)c(-c2cc(Br)ccc2N)c1N
InChIInChI=1S/C16H25BrN4OSi/c1-11-15(19)16(13-9-12(17)5-6-14(13)18)21(20-11)10-22-7-8-23(2,3)4/h5-6,9H,7-8,10,18-19H2,1-4H3
InChIKeyIRVHUWUIQXUYFQ-UHFFFAOYSA-N
XLogP4.10
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.10
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-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 171630107) is 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is Cc1nn(COCC[Si](C)(C)C)c(-c2cc(Br)ccc2N)c1N.
What is the InChIKey of 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is IRVHUWUIQXUYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4OSi/c1-11-15(19)16(13-9-12(17)5-6-14(13)18)21(20-11)10-22-7-8-23(2,3)4/h5-6,9H,7-8,10,18-19H2,1-4H3.
What are the key properties of 5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-(2-amino-5-bromophenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 397.39 g/mol, XLogP of 4.10, 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-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 171630107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).