1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide

C25H18ClN5O2S — CID 71653417

IUPAC1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide
SMILESO=C(N/N=C1\SCC(=O)N1c1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H18ClN5O2S/c26-18-11-13-20(14-12-18)31-22(17-7-3-1-4-8-17)15-21(29-31)24(33)27-28-25-30(23(32)16-34-25)19-9-5-2-6-10-19/h1-15H,16H2,(H,27,33)/b28-25-
InChIKeyWOXGLZBUELDOEL-FVDSYPCUSA-N
MW487.97 g/mol
LogP4.97
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide (PubChem CID 71653417) has the molecular formula C25H18ClN5O2S and a molecular weight of 487.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide
PubChem CID71653417
Molecular FormulaC25H18ClN5O2S
Molecular Weight487.97 g/mol
Exact Mass487.09
IUPAC Name1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide
SMILESO=C(N/N=C1\SCC(=O)N1c1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H18ClN5O2S/c26-18-11-13-20(14-12-18)31-22(17-7-3-1-4-8-17)15-21(29-31)24(33)27-28-25-30(23(32)16-34-25)19-9-5-2-6-10-19/h1-15H,16H2,(H,27,33)/b28-25-
InChIKeyWOXGLZBUELDOEL-FVDSYPCUSA-N
XLogP4.97
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide (CID 71653417) is 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide is O=C(N/N=C1\SCC(=O)N1c1ccccc1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide?
The InChIKey is WOXGLZBUELDOEL-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H18ClN5O2S/c26-18-11-13-20(14-12-18)31-22(17-7-3-1-4-8-17)15-21(29-31)24(33)27-28-25-30(23(32)16-34-25)19-9-5-2-6-10-19/h1-15H,16H2,(H,27,33)/b28-25-.
What are the key properties of 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide has a molecular weight of 487.97 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).