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

C15H15N3O2 — CID 61209255

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C15H15N3O2/c1-9-14(10(2)17-16-9)18-13(19)8-12(15(18)20)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,16,17)
InChIKeyMLCZFRJAGXPJFL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.07
Rot. Bonds2

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

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 61209255) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
PubChem CID61209255
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C15H15N3O2/c1-9-14(10(2)17-16-9)18-13(19)8-12(15(18)20)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,16,17)
InChIKeyMLCZFRJAGXPJFL-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.07
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-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione (CID 61209255) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione is Cc1n[nH]c(C)c1N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is MLCZFRJAGXPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-14(10(2)17-16-9)18-13(19)8-12(15(18)20)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.07, 2 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-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 61209255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).