4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one

C13H19N3O — CID 14840376

IUPAC4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
SMILESCN(C)CCC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C13H19N3O/c1-15(2)9-8-11-10-16(14-13(11)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17)
InChIKeyFHCPSDXFXQYLPL-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.11
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one

4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one (PubChem CID 14840376) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
PubChem CID14840376
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
SMILESCN(C)CCC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C13H19N3O/c1-15(2)9-8-11-10-16(14-13(11)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17)
InChIKeyFHCPSDXFXQYLPL-UHFFFAOYSA-N
XLogP1.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 14840375
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
CID 159587587
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
4-hydroxy-1-phenylpyrazolidin-3-one
CID 22417558
benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
CID 163578199
4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
CID 14840377
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10560937
4,5-dimethyl-1-phenylpyrazolidin-3-one;5-ethyl-4-methyl-1-phenylpyrazolidin-3-one;(3-oxo-1-phenylpyrazolidin-4-yl)methyl N,N-dimethylcarbamate;4,5,5-trimethyl-1-phenylpyrazolidin-3-one
CID 160886684
3-[3-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-1,3-oxazolidin-2-one
CID 70193496

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one (CID 14840376) is 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one is CN(C)CCC1CN(c2ccccc2)NC1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one?
The InChIKey is FHCPSDXFXQYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(2)9-8-11-10-16(14-13(11)17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one?
4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one has a molecular weight of 233.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 14840376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).