2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine

C10H12BrN5 — CID 121211545

IUPAC2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
SMILESCc1c(Br)c(-c2cnccn2)nn1CCN
InChIInChI=1S/C10H12BrN5/c1-7-9(11)10(15-16(7)5-2-12)8-6-13-3-4-14-8/h3-4,6H,2,5,12H2,1H3
InChIKeyUJNREVOSNCOYRG-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine

2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine (PubChem CID 121211545) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
PubChem CID121211545
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
SMILESCc1c(Br)c(-c2cnccn2)nn1CCN
InChIInChI=1S/C10H12BrN5/c1-7-9(11)10(15-16(7)5-2-12)8-6-13-3-4-14-8/h3-4,6H,2,5,12H2,1H3
InChIKeyUJNREVOSNCOYRG-UHFFFAOYSA-N
XLogP1.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine (CID 121211545) is 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine is Cc1c(Br)c(-c2cnccn2)nn1CCN.
What is the InChIKey of 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine?
The InChIKey is UJNREVOSNCOYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-7-9(11)10(15-16(7)5-2-12)8-6-13-3-4-14-8/h3-4,6H,2,5,12H2,1H3.
What are the key properties of 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine?
2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine has a molecular weight of 282.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 121211545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).