2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one

C13H17N3O — CID 105489843

IUPAC2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one
SMILESNc1cccc(N2NC(C3CCC3)CC2=O)c1
InChIInChI=1S/C13H17N3O/c14-10-5-2-6-11(7-10)16-13(17)8-12(15-16)9-3-1-4-9/h2,5-7,9,12,15H,1,3-4,8,14H2
InChIKeyCJKOKXKKAFLVCI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one

2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one (PubChem CID 105489843) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one
PubChem CID105489843
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one
SMILESNc1cccc(N2NC(C3CCC3)CC2=O)c1
InChIInChI=1S/C13H17N3O/c14-10-5-2-6-11(7-10)16-13(17)8-12(15-16)9-3-1-4-9/h2,5-7,9,12,15H,1,3-4,8,14H2
InChIKeyCJKOKXKKAFLVCI-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-6-cyclopropyl-1,3-diazinane-2,4-dione
CID 82003596
2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one
CID 105489840
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)aniline
CID 43620189
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
CID 105494586
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
2-(3-aminophenyl)-5-methyl-4H-pyrazol-1-ium-3-one
CID 135525970
1-(3-aminophenyl)pyrrolidin-3-one
CID 115014711
1-[3-(aminomethyl)phenyl]-4-cyclopentylimidazolidin-2-one
CID 116979289
2-(3-aminophenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564655

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
The IUPAC name of 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one (CID 105489843) is 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one.
What is the SMILES notation for 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
The canonical SMILES for 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one is Nc1cccc(N2NC(C3CCC3)CC2=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
The InChIKey is CJKOKXKKAFLVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-5-2-6-11(7-10)16-13(17)8-12(15-16)9-3-1-4-9/h2,5-7,9,12,15H,1,3-4,8,14H2.
What are the key properties of 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one?
2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-cyclobutylpyrazolidin-3-one is sourced from PubChem (CID 105489843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).