N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C24H21FN4O3S — CID 46588856

IUPACN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O3S/c1-2-20-19(15-27-29(20)18-10-8-17(25)9-11-18)22(30)26-12-13-28-23(31)21(33-24(28)32)14-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,26,30)/b21-14-
InChIKeyYPEYSQGZTUHNQW-STZFKDTASA-N
MW464.52 g/mol
LogP4.04
Rot. Bonds7

About N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 46588856) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID46588856
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O3S/c1-2-20-19(15-27-29(20)18-10-8-17(25)9-11-18)22(30)26-12-13-28-23(31)21(33-24(28)32)14-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,26,30)/b21-14-
InChIKeyYPEYSQGZTUHNQW-STZFKDTASA-N
XLogP4.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37071332
2-fluoro-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 3515184
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 46588855
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 4812381
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 3557415
N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]pyridine-2-carboxamide
CID 4812379
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)acetamide
CID 6041309
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997693
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46555672
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanamide
CID 4824143
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55451555

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 46588856) is N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is YPEYSQGZTUHNQW-STZFKDTASA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-2-20-19(15-27-29(20)18-10-8-17(25)9-11-18)22(30)26-12-13-28-23(31)21(33-24(28)32)14-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,26,30)/b21-14-.
What are the key properties of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46588856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).