1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide

C25H23FN4O3S — CID 2118873

IUPAC1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C25H23FN4O3S/c1-16-22(17(2)30(28-16)15-19-6-4-3-5-7-19)23(31)27-12-13-29-24(32)21(34-25(29)33)14-18-8-10-20(26)11-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)/b21-14-
InChIKeyKSZWESLMFHILMV-STZFKDTASA-N
MW478.55 g/mol
LogP4.15
Rot. Bonds7

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

1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 2118873) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID2118873
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C25H23FN4O3S/c1-16-22(17(2)30(28-16)15-19-6-4-3-5-7-19)23(31)27-12-13-29-24(32)21(34-25(29)33)14-18-8-10-20(26)11-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)/b21-14-
InChIKeyKSZWESLMFHILMV-STZFKDTASA-N
XLogP4.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.15
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'}

Analyze 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 2118873) is 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is KSZWESLMFHILMV-STZFKDTASA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-16-22(17(2)30(28-16)15-19-6-4-3-5-7-19)23(31)27-12-13-29-24(32)21(34-25(29)33)14-18-8-10-20(26)11-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)/b21-14-.
What are the key properties of 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 2118873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).