3,5-dimethyl-1-oxidopyrazolidin-1-ium

C5H12N2O — CID 87699310

IUPAC3,5-dimethyl-1-oxidopyrazolidin-1-ium
SMILESCC1CC(C)[NH+]([O-])N1
InChIInChI=1S/C5H12N2O/c1-4-3-5(2)7(8)6-4/h4-7H,3H2,1-2H3
InChIKeyJZUJFQIBWYNXCM-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.95
Rot. Bonds

About 3,5-dimethyl-1-oxidopyrazolidin-1-ium

3,5-dimethyl-1-oxidopyrazolidin-1-ium (PubChem CID 87699310) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3,5-dimethyl-1-oxidopyrazolidin-1-ium.

Molecular Properties

Compound Name3,5-dimethyl-1-oxidopyrazolidin-1-ium
PubChem CID87699310
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3,5-dimethyl-1-oxidopyrazolidin-1-ium
SMILESCC1CC(C)[NH+]([O-])N1
InChIInChI=1S/C5H12N2O/c1-4-3-5(2)7(8)6-4/h4-7H,3H2,1-2H3
InChIKeyJZUJFQIBWYNXCM-UHFFFAOYSA-N
XLogP-0.95
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-1-oxidopyrazolidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methylpyrazolidin-1-ium 1-oxide
CID 90769560
3,5-Dimethylpyrazolidine
CID 4867587
3-Methylpyrazolidine
CID 14556720
3-Methylpyrazolidin-1-ium 1-oxide
CID 19080638
4,5-Dimethyl-1,3-dioxidotriazolidine-1,3-diium
CID 59061969
3-Ethylpyrazolidine
CID 68027292
(3R)-3-methylpyrazolidine
CID 68044640
1-Hydroxy-3,5-dimethylpyrazolidine
CID 69305760
3,5-Diethyl-1-hydroxypyrazolidine
CID 69306696
(3S)-3-methylpyrazolidine
CID 70308907
1,3-Dimethyl-1-oxidopyrazolidin-1-ium
CID 87878218
3-Methyl-1-oxidopyrazolidin-1-ium
CID 88157946

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-oxidopyrazolidin-1-ium?
The IUPAC name of 3,5-dimethyl-1-oxidopyrazolidin-1-ium (CID 87699310) is 3,5-dimethyl-1-oxidopyrazolidin-1-ium.
What is the SMILES notation for 3,5-dimethyl-1-oxidopyrazolidin-1-ium?
The canonical SMILES for 3,5-dimethyl-1-oxidopyrazolidin-1-ium is CC1CC(C)[NH+]([O-])N1.
What is the InChIKey of 3,5-dimethyl-1-oxidopyrazolidin-1-ium?
The InChIKey is JZUJFQIBWYNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-3-5(2)7(8)6-4/h4-7H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-oxidopyrazolidin-1-ium?
3,5-dimethyl-1-oxidopyrazolidin-1-ium has a molecular weight of 116.16 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-oxidopyrazolidin-1-ium is sourced from PubChem (CID 87699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).