3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C18H24N4O — CID 86771090

IUPAC3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCCN(Cc1ccccc1)C1CCN(c2cc(C)nn2C)C1=O
InChIInChI=1S/C18H24N4O/c1-4-21(13-15-8-6-5-7-9-15)16-10-11-22(18(16)23)17-12-14(2)19-20(17)3/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyIZULVJJJZDFXMX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.36
Rot. Bonds5

About 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 86771090) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID86771090
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCCN(Cc1ccccc1)C1CCN(c2cc(C)nn2C)C1=O
InChIInChI=1S/C18H24N4O/c1-4-21(13-15-8-6-5-7-9-15)16-10-11-22(18(16)23)17-12-14(2)19-20(17)3/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyIZULVJJJZDFXMX-UHFFFAOYSA-N
XLogP2.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 86771090) is 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is CCN(Cc1ccccc1)C1CCN(c2cc(C)nn2C)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is IZULVJJJZDFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-21(13-15-8-6-5-7-9-15)16-10-11-22(18(16)23)17-12-14(2)19-20(17)3/h5-9,12,16H,4,10-11,13H2,1-3H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 312.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 86771090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).