4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one

C11H10Cl4N2O — CID 163728752

IUPAC4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESCC1(C)NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1Cl
InChIInChI=1S/C11H10Cl4N2O/c1-11(2)9(15)10(18)17(16-11)8-6(13)3-5(12)4-7(8)14/h3-4,9,16H,1-2H3
InChIKeyKXUXSYVPDRGRRC-UHFFFAOYSA-N
MW328.03 g/mol
LogP3.88
Rot. Bonds1

About 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one

4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (PubChem CID 163728752) has the molecular formula C11H10Cl4N2O and a molecular weight of 328.03 g/mol. Its IUPAC name is 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
PubChem CID163728752
Molecular FormulaC11H10Cl4N2O
Molecular Weight328.03 g/mol
Exact Mass325.95
IUPAC Name4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
SMILESCC1(C)NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1Cl
InChIInChI=1S/C11H10Cl4N2O/c1-11(2)9(15)10(18)17(16-11)8-6(13)3-5(12)4-7(8)14/h3-4,9,16H,1-2H3
InChIKeyKXUXSYVPDRGRRC-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.03
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one
CID 11209044
6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599157
3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione
CID 88544902
4,4-dibromo-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one
CID 20788346
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
5-(2-chloro-5-methylphenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
CID 135733770
5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
CID 70538548
1-(2-chloro-4,6-difluorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 83087752
(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 26684095
3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 142928635
(2S,6R,8S,12R)-4,10-bis(3,5-dichlorophenyl)-1,14-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 98105594
5',7'-dichloro-1'-methyl-1-propan-2-ylspiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
CID 53369715

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The IUPAC name of 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one (CID 163728752) is 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The canonical SMILES for 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is CC1(C)NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1Cl.
What is the InChIKey of 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
The InChIKey is KXUXSYVPDRGRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4N2O/c1-11(2)9(15)10(18)17(16-11)8-6(13)3-5(12)4-7(8)14/h3-4,9,16H,1-2H3.
What are the key properties of 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one?
4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one has a molecular weight of 328.03 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 163728752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).