3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one

C23H16F2N4OS — CID 56968434

IUPAC3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2ccncc2)N1c1ccc(F)c(F)c1
InChIInChI=1S/C23H16F2N4OS/c24-19-7-6-17(12-20(19)25)29-21(30)14-31-23(29)18-13-28(16-4-2-1-3-5-16)27-22(18)15-8-10-26-11-9-15/h1-13,23H,14H2
InChIKeyCHAZOCZYUGKILT-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.99
Rot. Bonds4

About 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one

3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 56968434) has the molecular formula C23H16F2N4OS and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID56968434
Molecular FormulaC23H16F2N4OS
Molecular Weight434.47 g/mol
Exact Mass434.10
IUPAC Name3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2ccncc2)N1c1ccc(F)c(F)c1
InChIInChI=1S/C23H16F2N4OS/c24-19-7-6-17(12-20(19)25)29-21(30)14-31-23(29)18-13-28(16-4-2-1-3-5-16)27-22(18)15-8-10-26-11-9-15/h1-13,23H,14H2
InChIKeyCHAZOCZYUGKILT-UHFFFAOYSA-N
XLogP4.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylphenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 56968221
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710540
(2R)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99710533
2-[3-(3,4-difluorophenyl)-1-phenylpyrazol-4-yl]-3-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 11619893
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 982381
2-(1,3-diphenylpyrazol-4-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 2802850
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 45123641
(2S)-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2S)-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 99654858
3-benzyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3555205
3-[(4-chlorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 5209788
(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 97354163
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 56968434) is 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2cn(-c3ccccc3)nc2-c2ccncc2)N1c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is CHAZOCZYUGKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4OS/c24-19-7-6-17(12-20(19)25)29-21(30)14-31-23(29)18-13-28(16-4-2-1-3-5-16)27-22(18)15-8-10-26-11-9-15/h1-13,23H,14H2.
What are the key properties of 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 434.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 56968434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).