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

C6H11Cl2N3 — CID 50988279

IUPAC1-(azetidin-3-yl)pyrazole;dihydrochloride
SMILESCl.Cl.c1cnn(C2CNC2)c1
InChIInChI=1S/C6H9N3.2ClH/c1-2-8-9(3-1)6-4-7-5-6;;/h1-3,6-7H,4-5H2;2*1H
InChIKeySOSRZTOMIOCRBU-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.87
Rot. Bonds1

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

1-(azetidin-3-yl)pyrazole;dihydrochloride (PubChem CID 50988279) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 1-(azetidin-3-yl)pyrazole;dihydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)pyrazole;dihydrochloride
PubChem CID50988279
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name1-(azetidin-3-yl)pyrazole;dihydrochloride
SMILESCl.Cl.c1cnn(C2CNC2)c1
InChIInChI=1S/C6H9N3.2ClH/c1-2-8-9(3-1)6-4-7-5-6;;/h1-3,6-7H,4-5H2;2*1H
InChIKeySOSRZTOMIOCRBU-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.87
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)pyrazole;dihydrochloride?
The IUPAC name of 1-(azetidin-3-yl)pyrazole;dihydrochloride (CID 50988279) is 1-(azetidin-3-yl)pyrazole;dihydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)pyrazole;dihydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)pyrazole;dihydrochloride is Cl.Cl.c1cnn(C2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)pyrazole;dihydrochloride?
The InChIKey is SOSRZTOMIOCRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-2-8-9(3-1)6-4-7-5-6;;/h1-3,6-7H,4-5H2;2*1H.
What are the key properties of 1-(azetidin-3-yl)pyrazole;dihydrochloride?
1-(azetidin-3-yl)pyrazole;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 0.87, 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)pyrazole;dihydrochloride is sourced from PubChem (CID 50988279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).