1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one

C11H13N3O — CID 168500602

IUPAC1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccnn2CC)C1
InChIInChI=1S/C11H13N3O/c1-3-9-7-11(15)13(8-9)10-5-6-12-14(10)4-2/h1,5-6,9H,4,7-8H2,2H3
InChIKeyOADDCLZGBJZTJK-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.89
Rot. Bonds2

About 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one

1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one (PubChem CID 168500602) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
PubChem CID168500602
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccnn2CC)C1
InChIInChI=1S/C11H13N3O/c1-3-9-7-11(15)13(8-9)10-5-6-12-14(10)4-2/h1,5-6,9H,4,7-8H2,2H3
InChIKeyOADDCLZGBJZTJK-UHFFFAOYSA-N
XLogP0.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one
CID 168501341
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478
4-(chloromethyl)-1-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-2-one
CID 168506976
4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501383
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 168501466
4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
1-(2-dimethylphosphorylphenyl)-4-ethynylpyrrolidin-2-one
CID 168500963
1-(3-chloropyrazin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168503059

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one (CID 168500602) is 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(c2ccnn2CC)C1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one?
The InChIKey is OADDCLZGBJZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-9-7-11(15)13(8-9)10-5-6-12-14(10)4-2/h1,5-6,9H,4,7-8H2,2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one?
1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168500602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).