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

C16H17N5O3 — CID 87036718

IUPAC4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C16H17N5O3/c22-14(7-3-9-20-15(23)11-17-16(20)24)19-12-5-1-2-6-13(12)21-10-4-8-18-21/h1-2,4-6,8,10H,3,7,9,11H2,(H,17,24)(H,19,22)
InChIKeyQXJLRQBLJRNEAP-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.14
Rot. Bonds6

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

4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide (PubChem CID 87036718) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
PubChem CID87036718
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C16H17N5O3/c22-14(7-3-9-20-15(23)11-17-16(20)24)19-12-5-1-2-6-13(12)21-10-4-8-18-21/h1-2,4-6,8,10H,3,7,9,11H2,(H,17,24)(H,19,22)
InChIKeyQXJLRQBLJRNEAP-UHFFFAOYSA-N
XLogP1.14
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
CID 55647602
N-(3-amino-2-methylphenyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 16796113
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
2-(2-oxopiperidin-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 78883367
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
N-(2-aminophenyl)-6-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)hexanamide;ethane;2-methylpropane
CID 143414736
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide (CID 87036718) is 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide is O=C(CCCN1C(=O)CNC1=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide?
The InChIKey is QXJLRQBLJRNEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-14(7-3-9-20-15(23)11-17-16(20)24)19-12-5-1-2-6-13(12)21-10-4-8-18-21/h1-2,4-6,8,10H,3,7,9,11H2,(H,17,24)(H,19,22).
What are the key properties of 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide?
4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide has a molecular weight of 327.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 87036718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).