2-(4-bromopyrazol-1-yl)ethanamine

C5H8BrN3 — CID 7019313

IUPAC2-(4-bromopyrazol-1-yl)ethanamine
SMILESNCCn1cc(Br)cn1
InChIInChI=1S/C5H8BrN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2
InChIKeyUGKQCCBPFFPSHB-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.60
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)ethanamine

2-(4-bromopyrazol-1-yl)ethanamine (PubChem CID 7019313) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)ethanamine
PubChem CID7019313
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name2-(4-bromopyrazol-1-yl)ethanamine
SMILESNCCn1cc(Br)cn1
InChIInChI=1S/C5H8BrN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2
InChIKeyUGKQCCBPFFPSHB-UHFFFAOYSA-N
XLogP0.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)ethanamine (CID 7019313) is 2-(4-bromopyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)ethanamine is NCCn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)ethanamine?
The InChIKey is UGKQCCBPFFPSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)ethanamine?
2-(4-bromopyrazol-1-yl)ethanamine has a molecular weight of 190.04 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)ethanamine is sourced from PubChem (CID 7019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).