pyrazolidine;hydrochloride

C3H9ClN2 — CID 66785341

IUPACpyrazolidine;hydrochloride
SMILESC1CNNC1.Cl
InChIInChI=1S/C3H8N2.ClH/c1-2-4-5-3-1;/h4-5H,1-3H2;1H
InChIKeyVEXUHGJGWQFFTB-UHFFFAOYSA-N
MW108.57 g/mol
LogP-0.09
Rot. Bonds

About pyrazolidine;hydrochloride

pyrazolidine;hydrochloride (PubChem CID 66785341) has the molecular formula C3H9ClN2 and a molecular weight of 108.57 g/mol. Its IUPAC name is pyrazolidine;hydrochloride.

Molecular Properties

Compound Namepyrazolidine;hydrochloride
PubChem CID66785341
Molecular FormulaC3H9ClN2
Molecular Weight108.57 g/mol
Exact Mass108.05
IUPAC Namepyrazolidine;hydrochloride
SMILESC1CNNC1.Cl
InChIInChI=1S/C3H8N2.ClH/c1-2-4-5-3-1;/h4-5H,1-3H2;1H
InChIKeyVEXUHGJGWQFFTB-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.57
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrazolidine;hydrochloride?
The IUPAC name of pyrazolidine;hydrochloride (CID 66785341) is pyrazolidine;hydrochloride.
What is the SMILES notation for pyrazolidine;hydrochloride?
The canonical SMILES for pyrazolidine;hydrochloride is C1CNNC1.Cl.
What is the InChIKey of pyrazolidine;hydrochloride?
The InChIKey is VEXUHGJGWQFFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.ClH/c1-2-4-5-3-1;/h4-5H,1-3H2;1H.
What are the key properties of pyrazolidine;hydrochloride?
pyrazolidine;hydrochloride has a molecular weight of 108.57 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidine;hydrochloride is sourced from PubChem (CID 66785341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).