3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

C16H17N3O2 — CID 2964663

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-6-13(7-5-10)18-15(20)9-14(16(18)21)19-12(3)8-11(2)17-19/h4-8,14H,9H2,1-3H3
InChIKeyORVQOZPHRUJWPK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.31
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2964663) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2964663
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-6-13(7-5-10)18-15(20)9-14(16(18)21)19-12(3)8-11(2)17-19/h4-8,14H,9H2,1-3H3
InChIKeyORVQOZPHRUJWPK-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.31
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)-1-(4-methylphenyl)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

Related Compounds

1-({4-[6-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951944
1-(3,5-Dimethylphenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 3305779
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 3800305
3-(3,5-Dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24790949
3-(3-Methylphenyl)-1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 4149463
5-tert-butyl-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-3-carboxamide
CID 648690
1-(3-chloro-4-methylphenyl)-3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 661348
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)propanamide
CID 9550893
3,4-Dimethyl-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919763
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 24817646
3-methyl-1-(4-methylphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 134135906
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetamide
CID 168282890

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 2964663) is 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ORVQOZPHRUJWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-6-13(7-5-10)18-15(20)9-14(16(18)21)19-12(3)8-11(2)17-19/h4-8,14H,9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 2.31, 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-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2964663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).