4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione

C10H15N5O4S — CID 66062663

IUPAC4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCCn1cc(S(=O)(=O)N2CC(=O)NC(=O)C2C)c(N)n1
InChIInChI=1S/C10H15N5O4S/c1-3-14-4-7(9(11)13-14)20(18,19)15-5-8(16)12-10(17)6(15)2/h4,6H,3,5H2,1-2H3,(H2,11,13)(H,12,16,17)
InChIKeyXLTMIDFKQKRXKH-UHFFFAOYSA-N
MW301.33 g/mol
LogP-1.48
Rot. Bonds3

About 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione

4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione (PubChem CID 66062663) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
PubChem CID66062663
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCCn1cc(S(=O)(=O)N2CC(=O)NC(=O)C2C)c(N)n1
InChIInChI=1S/C10H15N5O4S/c1-3-14-4-7(9(11)13-14)20(18,19)15-5-8(16)12-10(17)6(15)2/h4,6H,3,5H2,1-2H3,(H2,11,13)(H,12,16,17)
InChIKeyXLTMIDFKQKRXKH-UHFFFAOYSA-N
XLogP-1.48
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione (CID 66062663) is 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione is CCn1cc(S(=O)(=O)N2CC(=O)NC(=O)C2C)c(N)n1.
What is the InChIKey of 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The InChIKey is XLTMIDFKQKRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-3-14-4-7(9(11)13-14)20(18,19)15-5-8(16)12-10(17)6(15)2/h4,6H,3,5H2,1-2H3,(H2,11,13)(H,12,16,17).
What are the key properties of 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione has a molecular weight of 301.33 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).