4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione

C12H19N5O2 — CID 66067136

IUPAC4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
SMILESCCc1nn(C)c(N2CC(=O)NC(=O)C2CC)c1N
InChIInChI=1S/C12H19N5O2/c1-4-7-10(13)12(16(3)15-7)17-6-9(18)14-11(19)8(17)5-2/h8H,4-6,13H2,1-3H3,(H,14,18,19)
InChIKeyGYOUSLFSLHHEMD-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.19
Rot. Bonds3

About 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione

4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 66067136) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
PubChem CID66067136
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
SMILESCCc1nn(C)c(N2CC(=O)NC(=O)C2CC)c1N
InChIInChI=1S/C12H19N5O2/c1-4-7-10(13)12(16(3)15-7)17-6-9(18)14-11(19)8(17)5-2/h8H,4-6,13H2,1-3H3,(H,14,18,19)
InChIKeyGYOUSLFSLHHEMD-UHFFFAOYSA-N
XLogP-0.19
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione (CID 66067136) is 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione is CCc1nn(C)c(N2CC(=O)NC(=O)C2CC)c1N.
What is the InChIKey of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is GYOUSLFSLHHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-7-10(13)12(16(3)15-7)17-6-9(18)14-11(19)8(17)5-2/h8H,4-6,13H2,1-3H3,(H,14,18,19).
What are the key properties of 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione?
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).