3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione

C11H13N3O2 — CID 115586393

IUPAC3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCn2cccn2)C1=O
InChIInChI=1S/C11H13N3O2/c1-9-8-10(15)14(11(9)16)7-3-6-13-5-2-4-12-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyCYXFIGXGWOAARP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.59
Rot. Bonds4

About 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione

3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione (PubChem CID 115586393) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione
PubChem CID115586393
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCn2cccn2)C1=O
InChIInChI=1S/C11H13N3O2/c1-9-8-10(15)14(11(9)16)7-3-6-13-5-2-4-12-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyCYXFIGXGWOAARP-UHFFFAOYSA-N
XLogP0.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.59
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-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione (CID 115586393) is 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCCn2cccn2)C1=O.
What is the InChIKey of 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione?
The InChIKey is CYXFIGXGWOAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-9-8-10(15)14(11(9)16)7-3-6-13-5-2-4-12-13/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione?
3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrazol-1-ylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 115586393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).