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

C18H19ClN2O — CID 134119722

IUPAC2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
SMILESCC1(C)CN(c2ccccc2)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C18H19ClN2O/c1-18(2)13-21(15-9-4-3-5-10-15)20(17(18)22)12-14-8-6-7-11-16(14)19/h3-11H,12-13H2,1-2H3
InChIKeyUCMWGKGRTWTEPU-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.13
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one (PubChem CID 134119722) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
PubChem CID134119722
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
SMILESCC1(C)CN(c2ccccc2)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C18H19ClN2O/c1-18(2)13-21(15-9-4-3-5-10-15)20(17(18)22)12-14-8-6-7-11-16(14)19/h3-11H,12-13H2,1-2H3
InChIKeyUCMWGKGRTWTEPU-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one (CID 134119722) is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one is CC1(C)CN(c2ccccc2)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
The InChIKey is UCMWGKGRTWTEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-18(2)13-21(15-9-4-3-5-10-15)20(17(18)22)12-14-8-6-7-11-16(14)19/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one?
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one has a molecular weight of 314.82 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 134119722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).