4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione

C10H15N5O4S — CID 105359060

IUPAC4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCc1c(S(=O)(=O)N2CC(=O)NC(=O)C2C)c(N)nn1C
InChIInChI=1S/C10H15N5O4S/c1-5-8(9(11)13-14(5)3)20(18,19)15-4-7(16)12-10(17)6(15)2/h6H,4H2,1-3H3,(H2,11,13)(H,12,16,17)
InChIKeyJSQNHGKZFWOWPW-UHFFFAOYSA-N
MW301.33 g/mol
LogP-1.65
Rot. Bonds2

About 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione

4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione (PubChem CID 105359060) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
PubChem CID105359060
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCc1c(S(=O)(=O)N2CC(=O)NC(=O)C2C)c(N)nn1C
InChIInChI=1S/C10H15N5O4S/c1-5-8(9(11)13-14(5)3)20(18,19)15-4-7(16)12-10(17)6(15)2/h6H,4H2,1-3H3,(H2,11,13)(H,12,16,17)
InChIKeyJSQNHGKZFWOWPW-UHFFFAOYSA-N
XLogP-1.65
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-1.65
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-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione (CID 105359060) is 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione is Cc1c(S(=O)(=O)N2CC(=O)NC(=O)C2C)c(N)nn1C.
What is the InChIKey of 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The InChIKey is JSQNHGKZFWOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-5-8(9(11)13-14(5)3)20(18,19)15-4-7(16)12-10(17)6(15)2/h6H,4H2,1-3H3,(H2,11,13)(H,12,16,17).
What are the key properties of 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione has a molecular weight of 301.33 g/mol, XLogP of -1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 105359060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).