3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione

C15H15N3O2 — CID 2835927

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C15H15N3O2/c1-10-8-11(2)18(16-10)13-9-14(19)17(15(13)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeyYTHZTIGRJHDPIL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.00
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione

3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 2835927) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID2835927
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C15H15N3O2/c1-10-8-11(2)18(16-10)13-9-14(19)17(15(13)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeyYTHZTIGRJHDPIL-UHFFFAOYSA-N
XLogP2.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 762228
1-(3,5-Dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 3305779
1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidine-2,5-dione
CID 3367012
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 3800305
1-(4-Chlorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 4419462
2-(3,5-Dimethyl-pyrazol-1-yl)-N-phenyl-acetamide
CID 2053745
3-(3,5-Dimethylpyrazolyl)-1-(4-methylphenyl)azolidine-2,5-dione
CID 2964663
1-(3-chlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2,5-pyrrolidinedione
CID 2841010
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 3514433
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 3777820
1-(3,5-Dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 3829291
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 661347

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 2835927) is 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione is Cc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is YTHZTIGRJHDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-11(2)18(16-10)13-9-14(19)17(15(13)20)12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione?
3-(3,5-dimethylpyrazol-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.00, 2 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)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2835927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).