(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one

C23H25N3O2S — CID 27566730

IUPAC(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H25N3O2S/c1-5-17-11-13-18(14-12-17)23-25(21(27)16(3)29-23)20-15(2)24(4)26(22(20)28)19-9-7-6-8-10-19/h6-14,16,23H,5H2,1-4H3/t16-,23-/m1/s1
InChIKeyVZZVVBJSACTFDQ-WAIKUNEKSA-N
MW407.54 g/mol
LogP4.21
Rot. Bonds4

About (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one

(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 27566730) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID27566730
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H25N3O2S/c1-5-17-11-13-18(14-12-17)23-25(21(27)16(3)29-23)20-15(2)24(4)26(22(20)28)19-9-7-6-8-10-19/h6-14,16,23H,5H2,1-4H3/t16-,23-/m1/s1
InChIKeyVZZVVBJSACTFDQ-WAIKUNEKSA-N
XLogP4.21
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 27566757
(2R,5S)-2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
CID 27566711
(2S,5S)-2-(2,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
CID 40793862
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274924
3-(3-chlorophenyl)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
CID 71372658
1,5-dimethyl-4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-phenylpyrazol-3-one
CID 101369227
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
CID 124503509
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666108
1,5-dimethyl-4-[5-[(4-methylphenyl)methylsulfanyl]tetrazol-1-yl]-2-phenylpyrazol-3-one
CID 17429266
2-[(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
CID 6988865
benzyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-ethylazanium
CID 7445102
4-[3-chloro-2-(2,6-dichlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4277177

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one (CID 27566730) is (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one is CCc1ccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is VZZVVBJSACTFDQ-WAIKUNEKSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-5-17-11-13-18(14-12-17)23-25(21(27)16(3)29-23)20-15(2)24(4)26(22(20)28)19-9-7-6-8-10-19/h6-14,16,23H,5H2,1-4H3/t16-,23-/m1/s1.
What are the key properties of (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one?
(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 407.54 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 27566730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).