2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one

C10H12ClN3O — CID 150947445

IUPAC2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one
SMILESCC1(C)CC(=O)N(c2ccc(Cl)cn2)N1
InChIInChI=1S/C10H12ClN3O/c1-10(2)5-9(15)14(13-10)8-4-3-7(11)6-12-8/h3-4,6,13H,5H2,1-2H3
InChIKeyLJJBNHCVLHHGGK-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.75
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one

2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one (PubChem CID 150947445) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one
PubChem CID150947445
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one
SMILESCC1(C)CC(=O)N(c2ccc(Cl)cn2)N1
InChIInChI=1S/C10H12ClN3O/c1-10(2)5-9(15)14(13-10)8-4-3-7(11)6-12-8/h3-4,6,13H,5H2,1-2H3
InChIKeyLJJBNHCVLHHGGK-UHFFFAOYSA-N
XLogP1.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one (CID 150947445) is 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one is CC1(C)CC(=O)N(c2ccc(Cl)cn2)N1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one?
The InChIKey is LJJBNHCVLHHGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-10(2)5-9(15)14(13-10)8-4-3-7(11)6-12-8/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one?
2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one has a molecular weight of 225.68 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5,5-dimethylpyrazolidin-3-one is sourced from PubChem (CID 150947445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).