1-hydroxy-3,5-dimethylpyrazolidine

C5H12N2O — CID 69305760

IUPAC1-hydroxy-3,5-dimethylpyrazolidine
SMILESCC1CC(C)N(O)N1
InChIInChI=1S/C5H12N2O/c1-4-3-5(2)7(8)6-4/h4-6,8H,3H2,1-2H3
InChIKeyGCRXWMWBMRWRJT-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.36
Rot. Bonds

About 1-hydroxy-3,5-dimethylpyrazolidine

1-hydroxy-3,5-dimethylpyrazolidine (PubChem CID 69305760) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-hydroxy-3,5-dimethylpyrazolidine.

Molecular Properties

Compound Name1-hydroxy-3,5-dimethylpyrazolidine
PubChem CID69305760
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-hydroxy-3,5-dimethylpyrazolidine
SMILESCC1CC(C)N(O)N1
InChIInChI=1S/C5H12N2O/c1-4-3-5(2)7(8)6-4/h4-6,8H,3H2,1-2H3
InChIKeyGCRXWMWBMRWRJT-UHFFFAOYSA-N
XLogP0.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,5-dimethylpyrazolidine?
The IUPAC name of 1-hydroxy-3,5-dimethylpyrazolidine (CID 69305760) is 1-hydroxy-3,5-dimethylpyrazolidine.
What is the SMILES notation for 1-hydroxy-3,5-dimethylpyrazolidine?
The canonical SMILES for 1-hydroxy-3,5-dimethylpyrazolidine is CC1CC(C)N(O)N1.
What is the InChIKey of 1-hydroxy-3,5-dimethylpyrazolidine?
The InChIKey is GCRXWMWBMRWRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-3-5(2)7(8)6-4/h4-6,8H,3H2,1-2H3.
What are the key properties of 1-hydroxy-3,5-dimethylpyrazolidine?
1-hydroxy-3,5-dimethylpyrazolidine has a molecular weight of 116.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,5-dimethylpyrazolidine is sourced from PubChem (CID 69305760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).