3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione

C12H16N4O2 — CID 64961091

IUPAC3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCn1cc(N2CC(=O)NC(C3CC3)C2=O)cn1
InChIInChI=1S/C12H16N4O2/c1-2-15-6-9(5-13-15)16-7-10(17)14-11(12(16)18)8-3-4-8/h5-6,8,11H,2-4,7H2,1H3,(H,14,17)
InChIKeyAJWFNNBBHYUYOO-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.14
Rot. Bonds3

About 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione

3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione (PubChem CID 64961091) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
PubChem CID64961091
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
SMILESCCn1cc(N2CC(=O)NC(C3CC3)C2=O)cn1
InChIInChI=1S/C12H16N4O2/c1-2-15-6-9(5-13-15)16-7-10(17)14-11(12(16)18)8-3-4-8/h5-6,8,11H,2-4,7H2,1H3,(H,14,17)
InChIKeyAJWFNNBBHYUYOO-UHFFFAOYSA-N
XLogP0.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
CID 64961148
1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64955046
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454
1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64961125
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
CID 64969701
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917503

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione (CID 64961091) is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione is CCn1cc(N2CC(=O)NC(C3CC3)C2=O)cn1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
The InChIKey is AJWFNNBBHYUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-15-6-9(5-13-15)16-7-10(17)14-11(12(16)18)8-3-4-8/h5-6,8,11H,2-4,7H2,1H3,(H,14,17).
What are the key properties of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione?
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione has a molecular weight of 248.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64961091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).