4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione

C14H12N4O3 — CID 66083192

IUPAC4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N1
InChIInChI=1S/C14H12N4O3/c19-12-8-17(9-13(20)16-12)14(21)10-2-4-11(5-3-10)18-7-1-6-15-18/h1-7H,8-9H2,(H,16,19,20)
InChIKeyWTXQAMGEGOQUJK-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.03
Rot. Bonds2

About 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione

4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione (PubChem CID 66083192) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
PubChem CID66083192
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N1
InChIInChI=1S/C14H12N4O3/c19-12-8-17(9-13(20)16-12)14(21)10-2-4-11(5-3-10)18-7-1-6-15-18/h1-7H,8-9H2,(H,16,19,20)
InChIKeyWTXQAMGEGOQUJK-UHFFFAOYSA-N
XLogP-0.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119258518
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
4-pyrazol-1-ylbenzoate
CID 5158283
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione (CID 66083192) is 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N1.
What is the InChIKey of 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione?
The InChIKey is WTXQAMGEGOQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-12-8-17(9-13(20)16-12)14(21)10-2-4-11(5-3-10)18-7-1-6-15-18/h1-7H,8-9H2,(H,16,19,20).
What are the key properties of 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione?
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione has a molecular weight of 284.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66083192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).