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

C9H13N5O4S — CID 66063637

IUPAC4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H13N5O4S/c1-5-9(16)11-7(15)4-14(5)19(17,18)6-3-13(2)12-8(6)10/h3,5H,4H2,1-2H3,(H2,10,12)(H,11,15,16)
InChIKeyCNONIALVRPAIRK-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.96
Rot. Bonds2

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

4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione (PubChem CID 66063637) has the molecular formula C9H13N5O4S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
PubChem CID66063637
Molecular FormulaC9H13N5O4S
Molecular Weight287.30 g/mol
Exact Mass287.07
IUPAC Name4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H13N5O4S/c1-5-9(16)11-7(15)4-14(5)19(17,18)6-3-13(2)12-8(6)10/h3,5H,4H2,1-2H3,(H2,10,12)(H,11,15,16)
InChIKeyCNONIALVRPAIRK-UHFFFAOYSA-N
XLogP-1.96
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.96
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-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione (CID 66063637) is 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
The InChIKey is CNONIALVRPAIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4S/c1-5-9(16)11-7(15)4-14(5)19(17,18)6-3-13(2)12-8(6)10/h3,5H,4H2,1-2H3,(H2,10,12)(H,11,15,16).
What are the key properties of 4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione?
4-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione has a molecular weight of 287.30 g/mol, XLogP of -1.96, 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-methylpyrazol-4-yl)sulfonyl-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).