1-(4-aminophenyl)pyrazolidin-3-one

C9H11N3O — CID 14177468

IUPAC1-(4-aminophenyl)pyrazolidin-3-one
SMILESNc1ccc(N2CCC(=O)N2)cc1
InChIInChI=1S/C9H11N3O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-4H,5-6,10H2,(H,11,13)
InChIKeyCFUKJWJEMFIXKW-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.51
Rot. Bonds1

About 1-(4-aminophenyl)pyrazolidin-3-one

1-(4-aminophenyl)pyrazolidin-3-one (PubChem CID 14177468) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(4-aminophenyl)pyrazolidin-3-one
PubChem CID14177468
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(4-aminophenyl)pyrazolidin-3-one
SMILESNc1ccc(N2CCC(=O)N2)cc1
InChIInChI=1S/C9H11N3O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-4H,5-6,10H2,(H,11,13)
InChIKeyCFUKJWJEMFIXKW-UHFFFAOYSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrazolidin-3-one?
The IUPAC name of 1-(4-aminophenyl)pyrazolidin-3-one (CID 14177468) is 1-(4-aminophenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(4-aminophenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(4-aminophenyl)pyrazolidin-3-one is Nc1ccc(N2CCC(=O)N2)cc1.
What is the InChIKey of 1-(4-aminophenyl)pyrazolidin-3-one?
The InChIKey is CFUKJWJEMFIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-4H,5-6,10H2,(H,11,13).
What are the key properties of 1-(4-aminophenyl)pyrazolidin-3-one?
1-(4-aminophenyl)pyrazolidin-3-one has a molecular weight of 177.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)pyrazolidin-3-one is sourced from PubChem (CID 14177468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).