4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide

C17H19N5O3 — CID 78864304

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2ccc(-n3cccn3)cc2)C1=O
InChIInChI=1S/C17H19N5O3/c1-20-12-16(24)21(17(20)25)10-2-4-15(23)19-13-5-7-14(8-6-13)22-11-3-9-18-22/h3,5-9,11H,2,4,10,12H2,1H3,(H,19,23)
InChIKeyPSBRBKBNYMBJKQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.49
Rot. Bonds6

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide (PubChem CID 78864304) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
PubChem CID78864304
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2ccc(-n3cccn3)cc2)C1=O
InChIInChI=1S/C17H19N5O3/c1-20-12-16(24)21(17(20)25)10-2-4-15(23)19-13-5-7-14(8-6-13)22-11-3-9-18-22/h3,5-9,11H,2,4,10,12H2,1H3,(H,19,23)
InChIKeyPSBRBKBNYMBJKQ-UHFFFAOYSA-N
XLogP1.49
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide (CID 78864304) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide is CN1CC(=O)N(CCCC(=O)Nc2ccc(-n3cccn3)cc2)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
The InChIKey is PSBRBKBNYMBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-20-12-16(24)21(17(20)25)10-2-4-15(23)19-13-5-7-14(8-6-13)22-11-3-9-18-22/h3,5-9,11H,2,4,10,12H2,1H3,(H,19,23).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide has a molecular weight of 341.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 78864304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).