N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide

C17H17N3O2 — CID 4879158

IUPACN-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
SMILESCc1ccc(C2NNC(=O)C2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)14-15(17(22)20-19-14)18-16(21)13-5-3-2-4-6-13/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22)
InChIKeyQGYNZLLHXVPAEM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.47
Rot. Bonds3

About N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide

N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide (PubChem CID 4879158) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
PubChem CID4879158
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
SMILESCc1ccc(C2NNC(=O)C2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)14-15(17(22)20-19-14)18-16(21)13-5-3-2-4-6-13/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22)
InChIKeyQGYNZLLHXVPAEM-UHFFFAOYSA-N
XLogP1.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-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 N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide?
The IUPAC name of N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide (CID 4879158) is N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide?
The canonical SMILES for N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide is Cc1ccc(C2NNC(=O)C2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide?
The InChIKey is QGYNZLLHXVPAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)14-15(17(22)20-19-14)18-16(21)13-5-3-2-4-6-13/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide?
N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide has a molecular weight of 295.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide is sourced from PubChem (CID 4879158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).