3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C15H24N4O — CID 86770898

IUPAC3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3CCCCCC3)C2=O)n(C)n1
InChIInChI=1S/C15H24N4O/c1-12-11-14(17(2)16-12)19-10-7-13(15(19)20)18-8-5-3-4-6-9-18/h11,13H,3-10H2,1-2H3
InChIKeyZUKWMVBCLYNGNA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds2

About 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 86770898) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID86770898
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3CCCCCC3)C2=O)n(C)n1
InChIInChI=1S/C15H24N4O/c1-12-11-14(17(2)16-12)19-10-7-13(15(19)20)18-8-5-3-4-6-9-18/h11,13H,3-10H2,1-2H3
InChIKeyZUKWMVBCLYNGNA-UHFFFAOYSA-N
XLogP1.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 86770898) is 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CCC(N3CCCCCC3)C2=O)n(C)n1.
What is the InChIKey of 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is ZUKWMVBCLYNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-11-14(17(2)16-12)19-10-7-13(15(19)20)18-8-5-3-4-6-9-18/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 86770898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).