4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one

C13H13N3O2 — CID 168703552

IUPAC4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccccc1-n1cccn1
InChIInChI=1S/C13H13N3O2/c17-10-8-13(18)15(9-10)11-4-1-2-5-12(11)16-7-3-6-14-16/h1-7,10,17H,8-9H2
InChIKeyDIWRJPUMZBHNTD-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.97
Rot. Bonds2

About 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one

4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one (PubChem CID 168703552) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one
PubChem CID168703552
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccccc1-n1cccn1
InChIInChI=1S/C13H13N3O2/c17-10-8-13(18)15(9-10)11-4-1-2-5-12(11)16-7-3-6-14-16/h1-7,10,17H,8-9H2
InChIKeyDIWRJPUMZBHNTD-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168703040
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
4-hydroxy-1-(2-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168702386
3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168703966
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168703708
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739
(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 95142649
4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one (CID 168703552) is 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one is O=C1CC(O)CN1c1ccccc1-n1cccn1.
What is the InChIKey of 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is DIWRJPUMZBHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-10-8-13(18)15(9-10)11-4-1-2-5-12(11)16-7-3-6-14-16/h1-7,10,17H,8-9H2.
What are the key properties of 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one?
4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 243.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168703552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).