1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione

C19H19N5O2 — CID 123694862

IUPAC1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(c2ccn[nH]2)C1c1ccccc1
InChIInChI=1S/C19H19N5O2/c25-18-16(14-5-2-1-3-6-14)17(15-7-8-21-22-15)24(19(18)26)11-4-10-23-12-9-20-13-23/h1-3,5-9,12-13,16-17H,4,10-11H2,(H,21,22)
InChIKeyOUBVJQGPRJLHMN-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.93
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione

1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione (PubChem CID 123694862) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione
PubChem CID123694862
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(c2ccn[nH]2)C1c1ccccc1
InChIInChI=1S/C19H19N5O2/c25-18-16(14-5-2-1-3-6-14)17(15-7-8-21-22-15)24(19(18)26)11-4-10-23-12-9-20-13-23/h1-3,5-9,12-13,16-17H,4,10-11H2,(H,21,22)
InChIKeyOUBVJQGPRJLHMN-UHFFFAOYSA-N
XLogP1.93
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-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-[(2S,4S)-4-[4-(1-methylimidazol-4-yl)triazol-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 71455457
{1-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(1-methyl-1H-imidazol-2-yl)methanone
CID 16190482
3-(4-phenylphenyl)-1-[(2S)-2-[5-(1-propylpyrazol-4-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 52942413
1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52944818
1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-(1H-imidazol-1-yl)-1-ethanone
CID 53185496
[3-(2-methylimidazol-1-yl)piperidin-1-yl]-[3-(2-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 53615103
7-[4-(1H-pyrazol-3-yl)benzoyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 56716425
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 56779757
[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72132311
(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70772628
2-(1H-imidazol-1-yl)-1-(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-1-ethanone
CID 53185473
2-Imidazol-1-yl-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 53185518

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione (CID 123694862) is 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione is O=C1C(=O)N(CCCn2ccnc2)C(c2ccn[nH]2)C1c1ccccc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione?
The InChIKey is OUBVJQGPRJLHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18-16(14-5-2-1-3-6-14)17(15-7-8-21-22-15)24(19(18)26)11-4-10-23-12-9-20-13-23/h1-3,5-9,12-13,16-17H,4,10-11H2,(H,21,22).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione?
1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione has a molecular weight of 349.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4-phenyl-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123694862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).