4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one

C20H16Cl2N4O — CID 91616174

IUPAC4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one
SMILESO=C1NNC(C(c2ccncc2)c2cccnc2)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4O/c21-15-4-3-13(10-16(15)22)18-19(25-26-20(18)27)17(12-5-8-23-9-6-12)14-2-1-7-24-11-14/h1-11,17-19,25H,(H,26,27)
InChIKeyAIEHGHCOHCOKCE-UHFFFAOYSA-N
MW399.28 g/mol
LogP3.70
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one

4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one (PubChem CID 91616174) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one
PubChem CID91616174
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one
SMILESO=C1NNC(C(c2ccncc2)c2cccnc2)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2N4O/c21-15-4-3-13(10-16(15)22)18-19(25-26-20(18)27)17(12-5-8-23-9-6-12)14-2-1-7-24-11-14/h1-11,17-19,25H,(H,26,27)
InChIKeyAIEHGHCOHCOKCE-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one (CID 91616174) is 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one is O=C1NNC(C(c2ccncc2)c2cccnc2)C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one?
The InChIKey is AIEHGHCOHCOKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-15-4-3-13(10-16(15)22)18-19(25-26-20(18)27)17(12-5-8-23-9-6-12)14-2-1-7-24-11-14/h1-11,17-19,25H,(H,26,27).
What are the key properties of 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one?
4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one has a molecular weight of 399.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-[pyridin-3-yl(pyridin-4-yl)methyl]pyrazolidin-3-one is sourced from PubChem (CID 91616174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).