4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione

C14H20N4O3 — CID 66068522

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CCn1nc(C)cc1C
InChIInChI=1S/C14H20N4O3/c1-4-11-14(21)15-12(19)8-17(11)13(20)5-6-18-10(3)7-9(2)16-18/h7,11H,4-6,8H2,1-3H3,(H,15,19,21)
InChIKeyZMFRWRZHLAXOOZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.15
Rot. Bonds4

About 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione

4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66068522) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione
PubChem CID66068522
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CCn1nc(C)cc1C
InChIInChI=1S/C14H20N4O3/c1-4-11-14(21)15-12(19)8-17(11)13(20)5-6-18-10(3)7-9(2)16-18/h7,11H,4-6,8H2,1-3H3,(H,15,19,21)
InChIKeyZMFRWRZHLAXOOZ-UHFFFAOYSA-N
XLogP0.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione (CID 66068522) is 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)CCn1nc(C)cc1C.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is ZMFRWRZHLAXOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-11-14(21)15-12(19)8-17(11)13(20)5-6-18-10(3)7-9(2)16-18/h7,11H,4-6,8H2,1-3H3,(H,15,19,21).
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione?
4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 292.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).