(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one

C25H21N3OS — CID 982381

IUPAC(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H21N3OS/c29-23-18-30-25(27(23)16-19-10-4-1-5-11-19)22-17-28(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,17,25H,16,18H2/t25-/m1/s1
InChIKeyGCUBTZGPNOGQHX-RUZDIDTESA-N
MW411.53 g/mol
LogP5.31
Rot. Bonds5

About (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one

(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 982381) has the molecular formula C25H21N3OS and a molecular weight of 411.53 g/mol. Its IUPAC name is (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID982381
Molecular FormulaC25H21N3OS
Molecular Weight411.53 g/mol
Exact Mass411.14
IUPAC Name(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H21N3OS/c29-23-18-30-25(27(23)16-19-10-4-1-5-11-19)22-17-28(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,17,25H,16,18H2/t25-/m1/s1
InChIKeyGCUBTZGPNOGQHX-RUZDIDTESA-N
XLogP5.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3555205
(2S)-3-benzyl-2-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2360922
3-[(4-chlorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 5209788
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 45123641
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2110827
2-(1,3-diphenylpyrazol-4-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 2802850
(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
(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
(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-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
2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 3297809
(2R)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 1190761

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 982381) is (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is GCUBTZGPNOGQHX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21N3OS/c29-23-18-30-25(27(23)16-19-10-4-1-5-11-19)22-17-28(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,17,25H,16,18H2/t25-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 411.53 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 982381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).