2-(3-bromo-1H-pyrazol-5-yl)ethanamine

C5H8BrN3 — CID 83851980

IUPAC2-(3-bromo-1H-pyrazol-5-yl)ethanamine
SMILESNCCc1cc(Br)n[nH]1
InChIInChI=1S/C5H8BrN3/c6-5-3-4(1-2-7)8-9-5/h3H,1-2,7H2,(H,8,9)
InChIKeyXYHIXFXTKUHTNF-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.67
Rot. Bonds2

About 2-(3-bromo-1H-pyrazol-5-yl)ethanamine

2-(3-bromo-1H-pyrazol-5-yl)ethanamine (PubChem CID 83851980) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 2-(3-bromo-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-1H-pyrazol-5-yl)ethanamine
PubChem CID83851980
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name2-(3-bromo-1H-pyrazol-5-yl)ethanamine
SMILESNCCc1cc(Br)n[nH]1
InChIInChI=1S/C5H8BrN3/c6-5-3-4(1-2-7)8-9-5/h3H,1-2,7H2,(H,8,9)
InChIKeyXYHIXFXTKUHTNF-UHFFFAOYSA-N
XLogP0.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromo-1H-pyrazol-5-yl)ethanamine (CID 83851980) is 2-(3-bromo-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-1H-pyrazol-5-yl)ethanamine is NCCc1cc(Br)n[nH]1.
What is the InChIKey of 2-(3-bromo-1H-pyrazol-5-yl)ethanamine?
The InChIKey is XYHIXFXTKUHTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c6-5-3-4(1-2-7)8-9-5/h3H,1-2,7H2,(H,8,9).
What are the key properties of 2-(3-bromo-1H-pyrazol-5-yl)ethanamine?
2-(3-bromo-1H-pyrazol-5-yl)ethanamine has a molecular weight of 190.04 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83851980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).