1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C14H22N4O2 — CID 102807635

IUPAC1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1cn(C)nc1C
InChIInChI=1S/C14H22N4O2/c1-6-10-13(19)15-12(8(2)3)14(20)18(10)11-7-17(5)16-9(11)4/h7-8,10,12H,6H2,1-5H3,(H,15,19)
InChIKeyWXFZUSMNRSNEAL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.99
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 102807635) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID102807635
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1cn(C)nc1C
InChIInChI=1S/C14H22N4O2/c1-6-10-13(19)15-12(8(2)3)14(20)18(10)11-7-17(5)16-9(11)4/h7-8,10,12H,6H2,1-5H3,(H,15,19)
InChIKeyWXFZUSMNRSNEAL-UHFFFAOYSA-N
XLogP0.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 102807635) is 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WXFZUSMNRSNEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-6-10-13(19)15-12(8(2)3)14(20)18(10)11-7-17(5)16-9(11)4/h7-8,10,12H,6H2,1-5H3,(H,15,19).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 102807635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).