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

C18H21N3O2 — CID 3305779

IUPAC1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)c1
InChIInChI=1S/C18H21N3O2/c1-11-5-12(2)7-16(6-11)21-17(22)9-15(18(21)23)10-20-14(4)8-13(3)19-20/h5-8,15H,9-10H2,1-4H3
InChIKeyYJLVMNGVJGQGFA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.70
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 3305779) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID3305779
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)c1
InChIInChI=1S/C18H21N3O2/c1-11-5-12(2)7-16(6-11)21-17(22)9-15(18(21)23)10-20-14(4)8-13(3)19-20/h5-8,15H,9-10H2,1-4H3
InChIKeyYJLVMNGVJGQGFA-UHFFFAOYSA-N
XLogP2.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione (CID 3305779) is 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione is Cc1cc(C)cc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is YJLVMNGVJGQGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-5-12(2)7-16(6-11)21-17(22)9-15(18(21)23)10-20-14(4)8-13(3)19-20/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione?
1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 311.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3305779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).