2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one

C12H16N2O2 — CID 105475812

IUPAC2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one
SMILESCC1CC(=O)N(c2ccccc2C(C)O)N1
InChIInChI=1S/C12H16N2O2/c1-8-7-12(16)14(13-8)11-6-4-3-5-10(11)9(2)15/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeySEFWCDKLNKLUPY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.37
Rot. Bonds2

About 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one

2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one (PubChem CID 105475812) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one
PubChem CID105475812
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one
SMILESCC1CC(=O)N(c2ccccc2C(C)O)N1
InChIInChI=1S/C12H16N2O2/c1-8-7-12(16)14(13-8)11-6-4-3-5-10(11)9(2)15/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeySEFWCDKLNKLUPY-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 79188358
1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
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1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one
CID 84674088
methyl 1-[2-(1-hydroxyethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168692598
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
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(1R)-1-(2-morpholin-4-ylphenyl)ethanol
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(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione
CID 66068935
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626
4-[2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 65366231
(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884577
(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
CID 134952956

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one?
The IUPAC name of 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one (CID 105475812) is 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one?
The canonical SMILES for 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one is CC1CC(=O)N(c2ccccc2C(C)O)N1.
What is the InChIKey of 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one?
The InChIKey is SEFWCDKLNKLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-7-12(16)14(13-8)11-6-4-3-5-10(11)9(2)15/h3-6,8-9,13,15H,7H2,1-2H3.
What are the key properties of 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one?
2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one is sourced from PubChem (CID 105475812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).