3,5-dimethylpyrazolidine

C5H12N2 — CID 4867587

IUPAC3,5-dimethylpyrazolidine
SMILESCC1CC(C)NN1
InChIInChI=1S/C5H12N2/c1-4-3-5(2)7-6-4/h4-7H,3H2,1-2H3
InChIKeyLOQWPQZICQOFOO-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.26
Rot. Bonds

About 3,5-dimethylpyrazolidine

3,5-dimethylpyrazolidine (PubChem CID 4867587) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3,5-dimethylpyrazolidine.

Molecular Properties

Compound Name3,5-dimethylpyrazolidine
PubChem CID4867587
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3,5-dimethylpyrazolidine
SMILESCC1CC(C)NN1
InChIInChI=1S/C5H12N2/c1-4-3-5(2)7-6-4/h4-7H,3H2,1-2H3
InChIKeyLOQWPQZICQOFOO-UHFFFAOYSA-N
XLogP0.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyrazolidine?
The IUPAC name of 3,5-dimethylpyrazolidine (CID 4867587) is 3,5-dimethylpyrazolidine.
What is the SMILES notation for 3,5-dimethylpyrazolidine?
The canonical SMILES for 3,5-dimethylpyrazolidine is CC1CC(C)NN1.
What is the InChIKey of 3,5-dimethylpyrazolidine?
The InChIKey is LOQWPQZICQOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-3-5(2)7-6-4/h4-7H,3H2,1-2H3.
What are the key properties of 3,5-dimethylpyrazolidine?
3,5-dimethylpyrazolidine has a molecular weight of 100.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyrazolidine is sourced from PubChem (CID 4867587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).