4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione

C26H20FN3O3 — CID 91077433

IUPAC4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1C(c1cn[nH]c1)c1ccc(F)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H20FN3O3/c27-23-11-10-20(26(21-13-28-29-14-21)30-24(31)15-33-16-25(30)32)12-22(23)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-14,26H,15-16H2,(H,28,29)
InChIKeyKURSTJFFTIYQSF-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.36
Rot. Bonds5

About 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione

4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione (PubChem CID 91077433) has the molecular formula C26H20FN3O3 and a molecular weight of 441.46 g/mol. Its IUPAC name is 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione
PubChem CID91077433
Molecular FormulaC26H20FN3O3
Molecular Weight441.46 g/mol
Exact Mass441.15
IUPAC Name4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1C(c1cn[nH]c1)c1ccc(F)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H20FN3O3/c27-23-11-10-20(26(21-13-28-29-14-21)30-24(31)15-33-16-25(30)32)12-22(23)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-14,26H,15-16H2,(H,28,29)
InChIKeyKURSTJFFTIYQSF-UHFFFAOYSA-N
XLogP4.36
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.36
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 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione (CID 91077433) is 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione is O=C1COCC(=O)N1C(c1cn[nH]c1)c1ccc(F)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione?
The InChIKey is KURSTJFFTIYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3/c27-23-11-10-20(26(21-13-28-29-14-21)30-24(31)15-33-16-25(30)32)12-22(23)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-14,26H,15-16H2,(H,28,29).
What are the key properties of 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione?
4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione has a molecular weight of 441.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 91077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).