4-amino-1-ethylpyrazolidin-3-one

C5H11N3O — CID 126735557

IUPAC4-amino-1-ethylpyrazolidin-3-one
SMILESCCN1CC(N)C(=O)N1
InChIInChI=1S/C5H11N3O/c1-2-8-3-4(6)5(9)7-8/h4H,2-3,6H2,1H3,(H,7,9)
InChIKeyCOLVJRXMTVLKDL-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.32
Rot. Bonds1

About 4-amino-1-ethylpyrazolidin-3-one

4-amino-1-ethylpyrazolidin-3-one (PubChem CID 126735557) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-amino-1-ethylpyrazolidin-3-one.

Molecular Properties

Compound Name4-amino-1-ethylpyrazolidin-3-one
PubChem CID126735557
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-amino-1-ethylpyrazolidin-3-one
SMILESCCN1CC(N)C(=O)N1
InChIInChI=1S/C5H11N3O/c1-2-8-3-4(6)5(9)7-8/h4H,2-3,6H2,1H3,(H,7,9)
InChIKeyCOLVJRXMTVLKDL-UHFFFAOYSA-N
XLogP-1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-ethylpyrazolidin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylpyrazolidin-3-one?
The IUPAC name of 4-amino-1-ethylpyrazolidin-3-one (CID 126735557) is 4-amino-1-ethylpyrazolidin-3-one.
What is the SMILES notation for 4-amino-1-ethylpyrazolidin-3-one?
The canonical SMILES for 4-amino-1-ethylpyrazolidin-3-one is CCN1CC(N)C(=O)N1.
What is the InChIKey of 4-amino-1-ethylpyrazolidin-3-one?
The InChIKey is COLVJRXMTVLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-2-8-3-4(6)5(9)7-8/h4H,2-3,6H2,1H3,(H,7,9).
What are the key properties of 4-amino-1-ethylpyrazolidin-3-one?
4-amino-1-ethylpyrazolidin-3-one has a molecular weight of 129.16 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylpyrazolidin-3-one is sourced from PubChem (CID 126735557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).