4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one

C12H16N2O2 — CID 14840377

IUPAC4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
SMILESCC(C)(O)C1CN(c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2O2/c1-12(2,16)10-8-14(13-11(10)15)9-6-4-3-5-7-9/h3-7,10,16H,8H2,1-2H3,(H,13,15)
InChIKeyZXGGHEPDTMHLPM-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.92
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one

4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one (PubChem CID 14840377) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
PubChem CID14840377
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one
SMILESCC(C)(O)C1CN(c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2O2/c1-12(2,16)10-8-14(13-11(10)15)9-6-4-3-5-7-9/h3-7,10,16H,8H2,1-2H3,(H,13,15)
InChIKeyZXGGHEPDTMHLPM-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-phenylpyrazolidin-3-one
CID 158996523
(4R)-4-methyl-1-phenylpyrazolidin-3-one
CID 685628
4-hydroxy-1-phenylpyrazolidin-3-one
CID 22417558
benzene-1,4-diol;4-methyl-1-phenylpyrazolidin-3-one
CID 163578199
4-(2-hydroxyethyl)-1-phenylpyrazolidin-3-one
CID 14840375
methane;4-(methoxymethyl)-1-phenylpyrazolidin-3-one
CID 159587587
4-[2-(dimethylamino)ethyl]-1-phenylpyrazolidin-3-one
CID 14840376
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
CID 23393107
4-methoxy-5-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10560937
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
4-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10750236
sodium;1-phenylpyrazolidin-3-one;bromide
CID 157299139

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one (CID 14840377) is 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one is CC(C)(O)C1CN(c2ccccc2)NC1=O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one?
The InChIKey is ZXGGHEPDTMHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,16)10-8-14(13-11(10)15)9-6-4-3-5-7-9/h3-7,10,16H,8H2,1-2H3,(H,13,15).
What are the key properties of 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one?
4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 14840377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).