4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C18H20N4O3 — CID 47026934

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-13(11-21-10-2-9-19-21)20-18(25)15-5-3-14(4-6-15)12-22-16(23)7-8-17(22)24/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,25)
InChIKeyJHPHJGKOGDTIDW-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.35
Rot. Bonds6

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 47026934) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID47026934
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-13(11-21-10-2-9-19-21)20-18(25)15-5-3-14(4-6-15)12-22-16(23)7-8-17(22)24/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,25)
InChIKeyJHPHJGKOGDTIDW-UHFFFAOYSA-N
XLogP1.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 47026934) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is JHPHJGKOGDTIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(11-21-10-2-9-19-21)20-18(25)15-5-3-14(4-6-15)12-22-16(23)7-8-17(22)24/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,25).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 47026934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).