3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione

C18H21N3O2 — CID 3777820

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C18H21N3O2/c1-4-14-5-7-16(8-6-14)21-17(22)10-15(18(21)23)11-20-13(3)9-12(2)19-20/h5-9,15H,4,10-11H2,1-3H3
InChIKeyILQINVSOJSPTPD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione

3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione (PubChem CID 3777820) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
PubChem CID3777820
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C18H21N3O2/c1-4-14-5-7-16(8-6-14)21-17(22)10-15(18(21)23)11-20-13(3)9-12(2)19-20/h5-9,15H,4,10-11H2,1-3H3
InChIKeyILQINVSOJSPTPD-UHFFFAOYSA-N
XLogP2.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione (CID 3777820) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ILQINVSOJSPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-14-5-7-16(8-6-14)21-17(22)10-15(18(21)23)11-20-13(3)9-12(2)19-20/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 311.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3777820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).