5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile

C10H10N4O2 — CID 79504435

IUPAC5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile
SMILESCn1ncc(C#N)c1N1C(=O)CCCC1=O
InChIInChI=1S/C10H10N4O2/c1-13-10(7(5-11)6-12-13)14-8(15)3-2-4-9(14)16/h6H,2-4H2,1H3
InChIKeyWTBOHRRXOKAITM-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.34
Rot. Bonds1

About 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile

5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile (PubChem CID 79504435) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile
PubChem CID79504435
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile
SMILESCn1ncc(C#N)c1N1C(=O)CCCC1=O
InChIInChI=1S/C10H10N4O2/c1-13-10(7(5-11)6-12-13)14-8(15)3-2-4-9(14)16/h6H,2-4H2,1H3
InChIKeyWTBOHRRXOKAITM-UHFFFAOYSA-N
XLogP0.34
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.34
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 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile (CID 79504435) is 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile is Cn1ncc(C#N)c1N1C(=O)CCCC1=O.
What is the InChIKey of 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is WTBOHRRXOKAITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-13-10(7(5-11)6-12-13)14-8(15)3-2-4-9(14)16/h6H,2-4H2,1H3.
What are the key properties of 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile?
5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 218.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 79504435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).