5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride

C6H11Cl2N3 — CID 126624087

IUPAC5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride
SMILESCl.Cl.c1cc(C2CNC2)[nH]n1
InChIInChI=1S/C6H9N3.2ClH/c1-2-8-9-6(1)5-3-7-4-5;;/h1-2,5,7H,3-4H2,(H,8,9);2*1H
InChIKeyOSWIYLDRMRJFJW-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.94
Rot. Bonds1

About 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride

5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride (PubChem CID 126624087) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride
PubChem CID126624087
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride
SMILESCl.Cl.c1cc(C2CNC2)[nH]n1
InChIInChI=1S/C6H9N3.2ClH/c1-2-8-9-6(1)5-3-7-4-5;;/h1-2,5,7H,3-4H2,(H,8,9);2*1H
InChIKeyOSWIYLDRMRJFJW-UHFFFAOYSA-N
XLogP0.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride (CID 126624087) is 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride is Cl.Cl.c1cc(C2CNC2)[nH]n1.
What is the InChIKey of 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride?
The InChIKey is OSWIYLDRMRJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-2-8-9-6(1)5-3-7-4-5;;/h1-2,5,7H,3-4H2,(H,8,9);2*1H.
What are the key properties of 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride?
5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1H-pyrazole;dihydrochloride is sourced from PubChem (CID 126624087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).