1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione

C10H13N3O2 — CID 61036933

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H13N3O2/c1-5-4-8(14)13(10(5)15)9-6(2)11-12-7(9)3/h5H,4H2,1-3H3,(H,11,12)
InChIKeyVVJUJDOHXIWSCY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.93
Rot. Bonds1

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61036933) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID61036933
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H13N3O2/c1-5-4-8(14)13(10(5)15)9-6(2)11-12-7(9)3/h5H,4H2,1-3H3,(H,11,12)
InChIKeyVVJUJDOHXIWSCY-UHFFFAOYSA-N
XLogP0.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione (CID 61036933) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione is Cc1n[nH]c(C)c1N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is VVJUJDOHXIWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-5-4-8(14)13(10(5)15)9-6(2)11-12-7(9)3/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61036933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).