2-(2-chlorophenyl)pyrazolidin-3-one

C9H9ClN2O — CID 83531467

IUPAC2-(2-chlorophenyl)pyrazolidin-3-one
SMILESO=C1CCNN1c1ccccc1Cl
InChIInChI=1S/C9H9ClN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11-12/h1-4,11H,5-6H2
InChIKeyDMXXUPWFFPMAEQ-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.58
Rot. Bonds1

About 2-(2-chlorophenyl)pyrazolidin-3-one

2-(2-chlorophenyl)pyrazolidin-3-one (PubChem CID 83531467) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)pyrazolidin-3-one
PubChem CID83531467
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(2-chlorophenyl)pyrazolidin-3-one
SMILESO=C1CCNN1c1ccccc1Cl
InChIInChI=1S/C9H9ClN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11-12/h1-4,11H,5-6H2
InChIKeyDMXXUPWFFPMAEQ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-iodophenyl)pyrazolidin-3-one
CID 70460020
1-(2-chlorophenyl)-1,4-diazocan-5-one
CID 117015458
1-(2-chlorophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006502
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
2-(3-chlorophenyl)diazinan-3-one
CID 83533672
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4135812
1-(3-chloro-2-methylphenyl)-1,5-diazocan-2-one
CID 117014427
1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one
CID 83868814
(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
CID 92951788
1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773610
(3aR,5R,6S,7aR)-5,6-dibromo-2-(2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7115541

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)pyrazolidin-3-one?
The IUPAC name of 2-(2-chlorophenyl)pyrazolidin-3-one (CID 83531467) is 2-(2-chlorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)pyrazolidin-3-one?
The canonical SMILES for 2-(2-chlorophenyl)pyrazolidin-3-one is O=C1CCNN1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)pyrazolidin-3-one?
The InChIKey is DMXXUPWFFPMAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11-12/h1-4,11H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)pyrazolidin-3-one?
2-(2-chlorophenyl)pyrazolidin-3-one has a molecular weight of 196.64 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 83531467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).