1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride

C6H9BrClN3 — CID 67027587

IUPAC1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride
SMILESBrc1cnn(C2CNC2)c1.Cl
InChIInChI=1S/C6H8BrN3.ClH/c7-5-1-9-10(4-5)6-2-8-3-6;/h1,4,6,8H,2-3H2;1H
InChIKeyGWWBOLFYZWXRNV-UHFFFAOYSA-N
MW238.52 g/mol
LogP1.21
Rot. Bonds1

About 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride

1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride (PubChem CID 67027587) has the molecular formula C6H9BrClN3 and a molecular weight of 238.52 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride
PubChem CID67027587
Molecular FormulaC6H9BrClN3
Molecular Weight238.52 g/mol
Exact Mass236.97
IUPAC Name1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride
SMILESBrc1cnn(C2CNC2)c1.Cl
InChIInChI=1S/C6H8BrN3.ClH/c7-5-1-9-10(4-5)6-2-8-3-6;/h1,4,6,8H,2-3H2;1H
InChIKeyGWWBOLFYZWXRNV-UHFFFAOYSA-N
XLogP1.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.52
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride (CID 67027587) is 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride is Brc1cnn(C2CNC2)c1.Cl.
What is the InChIKey of 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride?
The InChIKey is GWWBOLFYZWXRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3.ClH/c7-5-1-9-10(4-5)6-2-8-3-6;/h1,4,6,8H,2-3H2;1H.
What are the key properties of 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride?
1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride has a molecular weight of 238.52 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride is sourced from PubChem (CID 67027587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).