4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione

C10H12N4O3 — CID 66085561

IUPAC4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
SMILESCc1c(C(=O)N2CC(=O)NC(=O)C2)cnn1C
InChIInChI=1S/C10H12N4O3/c1-6-7(3-11-13(6)2)10(17)14-4-8(15)12-9(16)5-14/h3H,4-5H2,1-2H3,(H,12,15,16)
InChIKeyVUISKUVQMJMTQU-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.17
Rot. Bonds1

About 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione

4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione (PubChem CID 66085561) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
PubChem CID66085561
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
SMILESCc1c(C(=O)N2CC(=O)NC(=O)C2)cnn1C
InChIInChI=1S/C10H12N4O3/c1-6-7(3-11-13(6)2)10(17)14-4-8(15)12-9(16)5-14/h3H,4-5H2,1-2H3,(H,12,15,16)
InChIKeyVUISKUVQMJMTQU-UHFFFAOYSA-N
XLogP-1.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.17
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

(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
CID 66123250
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione (CID 66085561) is 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione is Cc1c(C(=O)N2CC(=O)NC(=O)C2)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione?
The InChIKey is VUISKUVQMJMTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-6-7(3-11-13(6)2)10(17)14-4-8(15)12-9(16)5-14/h3H,4-5H2,1-2H3,(H,12,15,16).
What are the key properties of 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione?
4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66085561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).