2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine

C11H12BrN3 — CID 84807844

IUPAC2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine
SMILESNCCn1nccc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c12-10-3-1-9(2-4-10)11-5-7-14-15(11)8-6-13/h1-5,7H,6,8,13H2
InChIKeyIXYQYBCJZKPRQK-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.27
Rot. Bonds3

About 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine

2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine (PubChem CID 84807844) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine
PubChem CID84807844
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine
SMILESNCCn1nccc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c12-10-3-1-9(2-4-10)11-5-7-14-15(11)8-6-13/h1-5,7H,6,8,13H2
InChIKeyIXYQYBCJZKPRQK-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine (CID 84807844) is 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine is NCCn1nccc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine?
The InChIKey is IXYQYBCJZKPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-10-3-1-9(2-4-10)11-5-7-14-15(11)8-6-13/h1-5,7H,6,8,13H2.
What are the key properties of 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine?
2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 84807844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).