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

C10H9ClN2O2 — CID 1487858

IUPAC1-(4-chlorobenzoyl)pyrazolidin-3-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C10H9ClN2O2/c11-8-3-1-7(2-4-8)10(15)13-6-5-9(14)12-13/h1-4H,5-6H2,(H,12,14)
InChIKeyVBBNRSJEFMMXAJ-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.22
Rot. Bonds1

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

1-(4-chlorobenzoyl)pyrazolidin-3-one (PubChem CID 1487858) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)pyrazolidin-3-one
PubChem CID1487858
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-(4-chlorobenzoyl)pyrazolidin-3-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C10H9ClN2O2/c11-8-3-1-7(2-4-8)10(15)13-6-5-9(14)12-13/h1-4H,5-6H2,(H,12,14)
InChIKeyVBBNRSJEFMMXAJ-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)pyrazolidin-3-one?
The IUPAC name of 1-(4-chlorobenzoyl)pyrazolidin-3-one (CID 1487858) is 1-(4-chlorobenzoyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(4-chlorobenzoyl)pyrazolidin-3-one?
The canonical SMILES for 1-(4-chlorobenzoyl)pyrazolidin-3-one is O=C1CCN(C(=O)c2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorobenzoyl)pyrazolidin-3-one?
The InChIKey is VBBNRSJEFMMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-8-3-1-7(2-4-8)10(15)13-6-5-9(14)12-13/h1-4H,5-6H2,(H,12,14).
What are the key properties of 1-(4-chlorobenzoyl)pyrazolidin-3-one?
1-(4-chlorobenzoyl)pyrazolidin-3-one has a molecular weight of 224.65 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)pyrazolidin-3-one is sourced from PubChem (CID 1487858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).