1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione

C12H18N4O2 — CID 66062447

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione
SMILESCCc1cc(CN2C(=O)CNCC2=O)n(CC)n1
InChIInChI=1S/C12H18N4O2/c1-3-9-5-10(16(4-2)14-9)8-15-11(17)6-13-7-12(15)18/h5,13H,3-4,6-8H2,1-2H3
InChIKeyZOIGJJIYTRZJBV-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.08
Rot. Bonds4

About 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione

1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione (PubChem CID 66062447) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione
PubChem CID66062447
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione
SMILESCCc1cc(CN2C(=O)CNCC2=O)n(CC)n1
InChIInChI=1S/C12H18N4O2/c1-3-9-5-10(16(4-2)14-9)8-15-11(17)6-13-7-12(15)18/h5,13H,3-4,6-8H2,1-2H3
InChIKeyZOIGJJIYTRZJBV-UHFFFAOYSA-N
XLogP-0.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.08
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

1-[(1,3-diethylpyrazol-5-yl)methyl]-5-iodo-3H-indol-2-one
CID 79783329
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66425177
3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 116622684
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperazine-2,6-dione
CID 66061094
3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
CID 104679348
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrole-2-carboxylic acid
CID 79112919
1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole
CID 79460063
1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole
CID 116621748
5-[[3-(4-bromophenyl)azetidin-3-yl]methyl]-1,3-diethylpyrazole
CID 79460711

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione (CID 66062447) is 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione is CCc1cc(CN2C(=O)CNCC2=O)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione?
The InChIKey is ZOIGJJIYTRZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-9-5-10(16(4-2)14-9)8-15-11(17)6-13-7-12(15)18/h5,13H,3-4,6-8H2,1-2H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione?
1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione has a molecular weight of 250.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 66062447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).