1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one

C19H23N3O — CID 70936661

IUPAC1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one
SMILESCCN1C(C(C)C)CC(=O)N1c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H23N3O/c1-4-21-17(14(2)3)12-19(23)22(21)18-11-10-16(13-20-18)15-8-6-5-7-9-15/h5-11,13-14,17H,4,12H2,1-3H3
InChIKeyRJXDTVTYXZZAJE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.75
Rot. Bonds4

About 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one

1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one (PubChem CID 70936661) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one
PubChem CID70936661
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one
SMILESCCN1C(C(C)C)CC(=O)N1c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H23N3O/c1-4-21-17(14(2)3)12-19(23)22(21)18-11-10-16(13-20-18)15-8-6-5-7-9-15/h5-11,13-14,17H,4,12H2,1-3H3
InChIKeyRJXDTVTYXZZAJE-UHFFFAOYSA-N
XLogP3.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-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 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one?
The IUPAC name of 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one (CID 70936661) is 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one is CCN1C(C(C)C)CC(=O)N1c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one?
The InChIKey is RJXDTVTYXZZAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-21-17(14(2)3)12-19(23)22(21)18-11-10-16(13-20-18)15-8-6-5-7-9-15/h5-11,13-14,17H,4,12H2,1-3H3.
What are the key properties of 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one?
1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one has a molecular weight of 309.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-phenyl-2-pyridinyl)-5-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 70936661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).