5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C20H18N6O4 — CID 166190072

IUPAC5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)=NN1c1ccccc1
InChIInChI=1S/C20H18N6O4/c21-18(28)16-10-15(24-26(16)13-6-2-1-3-7-13)19(29)23-12-5-4-8-14(9-12)25-17(27)11-22-20(25)30/h1-9,16H,10-11H2,(H2,21,28)(H,22,30)(H,23,29)
InChIKeyARSWZTYCBFDFRL-UHFFFAOYSA-N
MW406.40 g/mol
LogP0.80
Rot. Bonds5

About 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 166190072) has the molecular formula C20H18N6O4 and a molecular weight of 406.40 g/mol. Its IUPAC name is 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID166190072
Molecular FormulaC20H18N6O4
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)=NN1c1ccccc1
InChIInChI=1S/C20H18N6O4/c21-18(28)16-10-15(24-26(16)13-6-2-1-3-7-13)19(29)23-12-5-4-8-14(9-12)25-17(27)11-22-20(25)30/h1-9,16H,10-11H2,(H2,21,28)(H,22,30)(H,23,29)
InChIKeyARSWZTYCBFDFRL-UHFFFAOYSA-N
XLogP0.80
TPSA137.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide 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

(3S)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402
(3R)-5-N-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999399
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
5-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 43051600
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
(3R)-5-N-(4-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623786
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
5-N-(6-methoxy-3-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46548689
(3S)-5-N-(1H-benzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36590160
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 166190072) is 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)=NN1c1ccccc1.
What is the InChIKey of 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is ARSWZTYCBFDFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4/c21-18(28)16-10-15(24-26(16)13-6-2-1-3-7-13)19(29)23-12-5-4-8-14(9-12)25-17(27)11-22-20(25)30/h1-9,16H,10-11H2,(H2,21,28)(H,22,30)(H,23,29).
What are the key properties of 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 406.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 166190072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).