4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one

C15H15N3O — CID 168686545

IUPAC4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H15N3O/c1-2-12-10-15(19)17(11-12)14-8-9-16-18(14)13-6-4-3-5-7-13/h2-9,12H,1,10-11H2
InChIKeyNBVHLDKXFOMVSF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.41
Rot. Bonds3

About 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one

4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168686545) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID168686545
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H15N3O/c1-2-12-10-15(19)17(11-12)14-8-9-16-18(14)13-6-4-3-5-7-13/h2-9,12H,1,10-11H2
InChIKeyNBVHLDKXFOMVSF-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one (CID 168686545) is 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccnn2-c2ccccc2)C1.
What is the InChIKey of 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is NBVHLDKXFOMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-12-10-15(19)17(11-12)14-8-9-16-18(14)13-6-4-3-5-7-13/h2-9,12H,1,10-11H2.
What are the key properties of 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168686545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).