2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one

C18H19FN2O — CID 3850468

IUPAC2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
SMILESCC1(C)CN(c2ccccc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H19FN2O/c1-18(2)13-21(16-6-4-3-5-7-16)20(17(18)22)12-14-8-10-15(19)11-9-14/h3-11H,12-13H2,1-2H3
InChIKeyXYYVZOFJKXHUJL-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.62
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one

2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one (PubChem CID 3850468) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
PubChem CID3850468
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
SMILESCC1(C)CN(c2ccccc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H19FN2O/c1-18(2)13-21(16-6-4-3-5-7-16)20(17(18)22)12-14-8-10-15(19)11-9-14/h3-11H,12-13H2,1-2H3
InChIKeyXYYVZOFJKXHUJL-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-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 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one (CID 3850468) is 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one is CC1(C)CN(c2ccccc2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The InChIKey is XYYVZOFJKXHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-18(2)13-21(16-6-4-3-5-7-16)20(17(18)22)12-14-8-10-15(19)11-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one has a molecular weight of 298.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 3850468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).