4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one

C9H13N3O2 — CID 168702984

IUPAC4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCc1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-5-9(14)12(6-8)4-2-7-1-3-10-11-7/h1,3,8,13H,2,4-6H2,(H,10,11)
InChIKeyXRFIPUXKKZMFNO-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.45
Rot. Bonds3

About 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one

4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 168702984) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID168702984
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCc1ccn[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-5-9(14)12(6-8)4-2-7-1-3-10-11-7/h1,3,8,13H,2,4-6H2,(H,10,11)
InChIKeyXRFIPUXKKZMFNO-UHFFFAOYSA-N
XLogP-0.45
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836
5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 168697470
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702055
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702985
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168702349
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one (CID 168702984) is 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one is O=C1CC(O)CN1CCc1ccn[nH]1.
What is the InChIKey of 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is XRFIPUXKKZMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-5-9(14)12(6-8)4-2-7-1-3-10-11-7/h1,3,8,13H,2,4-6H2,(H,10,11).
What are the key properties of 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one?
4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168702984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).