3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione

C9H9N3O2 — CID 2807902

IUPAC3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccn(C)n2)C1=O
InChIInChI=1S/C9H9N3O2/c1-6-5-8(13)12(9(6)14)7-3-4-11(2)10-7/h3-5H,1-2H3
InChIKeyUPWIXROBQHXMSV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.24
Rot. Bonds1

About 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione

3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione (PubChem CID 2807902) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
PubChem CID2807902
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccn(C)n2)C1=O
InChIInChI=1S/C9H9N3O2/c1-6-5-8(13)12(9(6)14)7-3-4-11(2)10-7/h3-5H,1-2H3
InChIKeyUPWIXROBQHXMSV-UHFFFAOYSA-N
XLogP0.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione (CID 2807902) is 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione is CC1=CC(=O)N(c2ccn(C)n2)C1=O.
What is the InChIKey of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
The InChIKey is UPWIXROBQHXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-5-8(13)12(9(6)14)7-3-4-11(2)10-7/h3-5H,1-2H3.
What are the key properties of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione?
3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione has a molecular weight of 191.19 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 2807902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).