4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one

C14H11Cl2N3O — CID 22277994

IUPAC4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one
SMILESO=C1NNC(c2ccncc2)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-10-2-1-9(7-11(10)16)12-13(18-19-14(12)20)8-3-5-17-6-4-8/h1-7,12-13,18H,(H,19,20)
InChIKeyMNSAOEBRUDQHTF-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.85
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one

4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one (PubChem CID 22277994) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one
PubChem CID22277994
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one
SMILESO=C1NNC(c2ccncc2)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-10-2-1-9(7-11(10)16)12-13(18-19-14(12)20)8-3-5-17-6-4-8/h1-7,12-13,18H,(H,19,20)
InChIKeyMNSAOEBRUDQHTF-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one
CID 91616174
(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 723855
5-(3,4-dichlorophenyl)cyclohexane-1,3-dione
CID 599126
3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one
CID 82300880
4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
5,6-bis(4-chlorophenyl)piperazin-2-one
CID 78034573
2,6-bis(3,4-dichlorophenyl)thian-4-one
CID 599109
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
CID 79429891
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one (CID 22277994) is 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one is O=C1NNC(c2ccncc2)C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one?
The InChIKey is MNSAOEBRUDQHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-10-2-1-9(7-11(10)16)12-13(18-19-14(12)20)8-3-5-17-6-4-8/h1-7,12-13,18H,(H,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one?
4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one has a molecular weight of 308.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one is sourced from PubChem (CID 22277994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).