1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine

C11H11Br2N3 — CID 82968622

IUPAC1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1-n1cc(Br)cn1
InChIInChI=1S/C11H11Br2N3/c1-7(14)10-3-2-8(12)4-11(10)16-6-9(13)5-15-16/h2-7H,14H2,1H3
InChIKeyYAWVTJHEMAMZNG-UHFFFAOYSA-N
MW345.04 g/mol
LogP3.42
Rot. Bonds2

About 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine

1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine (PubChem CID 82968622) has the molecular formula C11H11Br2N3 and a molecular weight of 345.04 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
PubChem CID82968622
Molecular FormulaC11H11Br2N3
Molecular Weight345.04 g/mol
Exact Mass342.93
IUPAC Name1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1-n1cc(Br)cn1
InChIInChI=1S/C11H11Br2N3/c1-7(14)10-3-2-8(12)4-11(10)16-6-9(13)5-15-16/h2-7H,14H2,1H3
InChIKeyYAWVTJHEMAMZNG-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.04
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine (CID 82968622) is 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine is CC(N)c1ccc(Br)cc1-n1cc(Br)cn1.
What is the InChIKey of 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine?
The InChIKey is YAWVTJHEMAMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3/c1-7(14)10-3-2-8(12)4-11(10)16-6-9(13)5-15-16/h2-7H,14H2,1H3.
What are the key properties of 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine?
1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine has a molecular weight of 345.04 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82968622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).