3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile

C11H12N4O2 — CID 103500181

IUPAC3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile
SMILESCC1C(=O)N(c2nn(C)cc2C#N)C(=O)C1C
InChIInChI=1S/C11H12N4O2/c1-6-7(2)11(17)15(10(6)16)9-8(4-12)5-14(3)13-9/h5-7H,1-3H3
InChIKeyJFUIQZSLCIYQNX-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.44
Rot. Bonds1

About 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile

3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile (PubChem CID 103500181) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile
PubChem CID103500181
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile
SMILESCC1C(=O)N(c2nn(C)cc2C#N)C(=O)C1C
InChIInChI=1S/C11H12N4O2/c1-6-7(2)11(17)15(10(6)16)9-8(4-12)5-14(3)13-9/h5-7H,1-3H3
InChIKeyJFUIQZSLCIYQNX-UHFFFAOYSA-N
XLogP0.44
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile (CID 103500181) is 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile is CC1C(=O)N(c2nn(C)cc2C#N)C(=O)C1C.
What is the InChIKey of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is JFUIQZSLCIYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-7(2)11(17)15(10(6)16)9-8(4-12)5-14(3)13-9/h5-7H,1-3H3.
What are the key properties of 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile?
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 103500181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).