3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione

C20H17N3O3 — CID 660007

IUPAC3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1c(C2CC(=O)N(c3ccccc3)C2=O)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C20H17N3O3/c1-13-18(21-23(19(13)25)15-10-6-3-7-11-15)16-12-17(24)22(20(16)26)14-8-4-2-5-9-14/h2-11,16,21H,12H2,1H3
InChIKeyZWGOAHWCLOGHRH-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.52
Rot. Bonds3

About 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione

3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 660007) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID660007
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1c(C2CC(=O)N(c3ccccc3)C2=O)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C20H17N3O3/c1-13-18(21-23(19(13)25)15-10-6-3-7-11-15)16-12-17(24)22(20(16)26)14-8-4-2-5-9-14/h2-11,16,21H,12H2,1H3
InChIKeyZWGOAHWCLOGHRH-UHFFFAOYSA-N
XLogP2.52
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione (CID 660007) is 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione is Cc1c(C2CC(=O)N(c3ccccc3)C2=O)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is ZWGOAHWCLOGHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-18(21-23(19(13)25)15-10-6-3-7-11-15)16-12-17(24)22(20(16)26)14-8-4-2-5-9-14/h2-11,16,21H,12H2,1H3.
What are the key properties of 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione?
3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 347.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-oxo-2-phenyl-1H-pyrazol-5-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 660007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).