1-hydroxy-1-oxidopyrazolidin-1-ium

C3H8N2O2 — CID 88786929

IUPAC1-hydroxy-1-oxidopyrazolidin-1-ium
SMILES[O-][N+]1(O)CCCN1
InChIInChI=1S/C3H8N2O2/c6-5(7)3-1-2-4-5/h4,6H,1-3H2
InChIKeyYRHDAAWWBKVGRM-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.40
Rot. Bonds

About 1-hydroxy-1-oxidopyrazolidin-1-ium

1-hydroxy-1-oxidopyrazolidin-1-ium (PubChem CID 88786929) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1-hydroxy-1-oxidopyrazolidin-1-ium.

Molecular Properties

Compound Name1-hydroxy-1-oxidopyrazolidin-1-ium
PubChem CID88786929
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name1-hydroxy-1-oxidopyrazolidin-1-ium
SMILES[O-][N+]1(O)CCCN1
InChIInChI=1S/C3H8N2O2/c6-5(7)3-1-2-4-5/h4,6H,1-3H2
InChIKeyYRHDAAWWBKVGRM-UHFFFAOYSA-N
XLogP-0.40
TPSA55.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-hydroxy-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

Hydroxypyrazolidine
CID 22575045
3-Amino(hydroxy)pyrazolidine
CID 129872347
1-Hydroxypyrazolidin-4-amine
CID 20335984
1-Hydroxy-2-oxidopyrazolidin-2-ium
CID 88528496
1-Oxidopyrazolidin-1-ium
CID 142663795
1,1-Dimethoxypyrazolidin-1-ium
CID 163794414
Pyrazolidin-1-yl nitrite
CID 174949880
Nitrous acid;pyrazolidine
CID 174949881
1,1-Dihydroxypyrazolidin-1-ium
CID 175113439
1-Oxidopyrazolidine
CID 87522687

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-oxidopyrazolidin-1-ium?
The IUPAC name of 1-hydroxy-1-oxidopyrazolidin-1-ium (CID 88786929) is 1-hydroxy-1-oxidopyrazolidin-1-ium.
What is the SMILES notation for 1-hydroxy-1-oxidopyrazolidin-1-ium?
The canonical SMILES for 1-hydroxy-1-oxidopyrazolidin-1-ium is [O-][N+]1(O)CCCN1.
What is the InChIKey of 1-hydroxy-1-oxidopyrazolidin-1-ium?
The InChIKey is YRHDAAWWBKVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c6-5(7)3-1-2-4-5/h4,6H,1-3H2.
What are the key properties of 1-hydroxy-1-oxidopyrazolidin-1-ium?
1-hydroxy-1-oxidopyrazolidin-1-ium has a molecular weight of 104.11 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-oxidopyrazolidin-1-ium is sourced from PubChem (CID 88786929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).