1-[(4-chlorophenyl)methyl]pyrazolidin-3-one

C10H11ClN2O — CID 1473556

IUPAC1-[(4-chlorophenyl)methyl]pyrazolidin-3-one
SMILESO=C1CCN(Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C10H11ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4H,5-7H2,(H,12,14)
InChIKeyCWOLTMHYVIZTCW-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.58
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one

1-[(4-chlorophenyl)methyl]pyrazolidin-3-one (PubChem CID 1473556) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrazolidin-3-one
PubChem CID1473556
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-[(4-chlorophenyl)methyl]pyrazolidin-3-one
SMILESO=C1CCN(Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C10H11ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4H,5-7H2,(H,12,14)
InChIKeyCWOLTMHYVIZTCW-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one (CID 1473556) is 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one is O=C1CCN(Cc2ccc(Cl)cc2)N1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one?
The InChIKey is CWOLTMHYVIZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4H,5-7H2,(H,12,14).
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one?
1-[(4-chlorophenyl)methyl]pyrazolidin-3-one has a molecular weight of 210.66 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyrazolidin-3-one is sourced from PubChem (CID 1473556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).