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

C24H22N4O3S — CID 37071332

IUPACN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cnn1-c1ccccc1
InChIInChI=1S/C24H22N4O3S/c1-2-20-19(16-26-28(20)18-11-7-4-8-12-18)22(29)25-13-14-27-23(30)21(32-24(27)31)15-17-9-5-3-6-10-17/h3-12,15-16H,2,13-14H2,1H3,(H,25,29)/b21-15-
InChIKeyTZRLHNILJPAVCG-QNGOZBTKSA-N
MW446.53 g/mol
LogP3.90
Rot. Bonds7

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

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 37071332) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID37071332
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cnn1-c1ccccc1
InChIInChI=1S/C24H22N4O3S/c1-2-20-19(16-26-28(20)18-11-7-4-8-12-18)22(29)25-13-14-27-23(30)21(32-24(27)31)15-17-9-5-3-6-10-17/h3-12,15-16H,2,13-14H2,1H3,(H,25,29)/b21-15-
InChIKeyTZRLHNILJPAVCG-QNGOZBTKSA-N
XLogP3.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.90
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-(4-fluorophenyl)pyrazole-4-carboxamide
CID 46588856
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 46588855
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
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,3-dichlorobenzamide
CID 3469181
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylacetamide
CID 3422835
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997693
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]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46488288
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 3557415
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6212208
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-methylpentanamide
CID 26186500

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-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 37071332) is N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-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-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cnn1-c1ccccc1.
What is the InChIKey of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is TZRLHNILJPAVCG-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-2-20-19(16-26-28(20)18-11-7-4-8-12-18)22(29)25-13-14-27-23(30)21(32-24(27)31)15-17-9-5-3-6-10-17/h3-12,15-16H,2,13-14H2,1H3,(H,25,29)/b21-15-.
What are the key properties of N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.90, 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-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 37071332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).