1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione

C11H15ClN4O2 — CID 72850126

IUPAC1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CCn2cc(Cl)cn2)C(=O)C1=O
InChIInChI=1S/C11H15ClN4O2/c1-2-14-3-4-15(11(18)10(14)17)5-6-16-8-9(12)7-13-16/h7-8H,2-6H2,1H3
InChIKeyQIHBZYGLCGYVPB-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.23
Rot. Bonds4

About 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione

1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione (PubChem CID 72850126) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione
PubChem CID72850126
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CCn2cc(Cl)cn2)C(=O)C1=O
InChIInChI=1S/C11H15ClN4O2/c1-2-14-3-4-15(11(18)10(14)17)5-6-16-8-9(12)7-13-16/h7-8H,2-6H2,1H3
InChIKeyQIHBZYGLCGYVPB-UHFFFAOYSA-N
XLogP0.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
1-[4-(2-Pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 71934220
1-(4-Chloropyrazol-1-yl)ethanone
CID 23261570
(3S)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-N,N-dimethylazepan-3-amine
CID 70709104
(2S)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707097
N~1~-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-N~2~-[(dimethylamino)carbonyl]glycinamide
CID 118772227
(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
CID 125161578
2-(4-Chloropyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72007507
1-[2-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4,4-difluoropiperidine
CID 118792326
(2R)-2-(4-chloropyrazol-1-yl)-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 125177044
(2S)-2-(4-chloropyrazol-1-yl)-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 125177047
1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 129368104

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione (CID 72850126) is 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(CCn2cc(Cl)cn2)C(=O)C1=O.
What is the InChIKey of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is QIHBZYGLCGYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-14-3-4-15(11(18)10(14)17)5-6-16-8-9(12)7-13-16/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione?
1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 270.72 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 72850126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).