5-(4-fluorophenyl)iminopyrazolidin-3-one

C9H8FN3O — CID 135419052

IUPAC5-(4-fluorophenyl)iminopyrazolidin-3-one
SMILESO=C1C/C(=N/c2ccc(F)cc2)NN1
InChIInChI=1S/C9H8FN3O/c10-6-1-3-7(4-2-6)11-8-5-9(14)13-12-8/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKeyIMVJBNNWJVFCIC-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.88
Rot. Bonds1

About 5-(4-fluorophenyl)iminopyrazolidin-3-one

5-(4-fluorophenyl)iminopyrazolidin-3-one (PubChem CID 135419052) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-(4-fluorophenyl)iminopyrazolidin-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)iminopyrazolidin-3-one
PubChem CID135419052
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name5-(4-fluorophenyl)iminopyrazolidin-3-one
SMILESO=C1C/C(=N/c2ccc(F)cc2)NN1
InChIInChI=1S/C9H8FN3O/c10-6-1-3-7(4-2-6)11-8-5-9(14)13-12-8/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKeyIMVJBNNWJVFCIC-UHFFFAOYSA-N
XLogP0.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)iminopyrazolidin-3-one?
The IUPAC name of 5-(4-fluorophenyl)iminopyrazolidin-3-one (CID 135419052) is 5-(4-fluorophenyl)iminopyrazolidin-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)iminopyrazolidin-3-one?
The canonical SMILES for 5-(4-fluorophenyl)iminopyrazolidin-3-one is O=C1C/C(=N/c2ccc(F)cc2)NN1.
What is the InChIKey of 5-(4-fluorophenyl)iminopyrazolidin-3-one?
The InChIKey is IMVJBNNWJVFCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-1-3-7(4-2-6)11-8-5-9(14)13-12-8/h1-4H,5H2,(H,11,12)(H,13,14).
What are the key properties of 5-(4-fluorophenyl)iminopyrazolidin-3-one?
5-(4-fluorophenyl)iminopyrazolidin-3-one has a molecular weight of 193.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)iminopyrazolidin-3-one is sourced from PubChem (CID 135419052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).