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

C17H19N3O2 — CID 3514433

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)c1
InChIInChI=1S/C17H19N3O2/c1-11-5-4-6-15(7-11)20-16(21)9-14(17(20)22)10-19-13(3)8-12(2)18-19/h4-8,14H,9-10H2,1-3H3
InChIKeyKSABQUKVFNKSBE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds3

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

3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 3514433) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID3514433
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)c1
InChIInChI=1S/C17H19N3O2/c1-11-5-4-6-15(7-11)20-16(21)9-14(17(20)22)10-19-13(3)8-12(2)18-19/h4-8,14H,9-10H2,1-3H3
InChIKeyKSABQUKVFNKSBE-UHFFFAOYSA-N
XLogP2.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
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

(3S)-1-(3-chloro-4-fluorophenyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 6546833
(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 950681
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
(3R)-1-(3-methylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 704103
CID 58466012
CID 58466012
tert-butyl-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7745942
(3S)-1-(3-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1115570
3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163802
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
3-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19579639
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 3514433) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)c1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is KSABQUKVFNKSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-5-4-6-15(7-11)20-16(21)9-14(17(20)22)10-19-13(3)8-12(2)18-19/h4-8,14H,9-10H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 297.36 g/mol, XLogP of 2.39, 3 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-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3514433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).