[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

C24H21N3O3S — CID 5216649

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCC(NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-17(18-9-4-2-5-10-18)25-22(28)16-30-24(29)20-15-27(19-11-6-3-7-12-19)26-23(20)21-13-8-14-31-21/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyZQNCWRZFONRYBD-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.64
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (PubChem CID 5216649) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
PubChem CID5216649
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCC(NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-17(18-9-4-2-5-10-18)25-22(28)16-30-24(29)20-15-27(19-11-6-3-7-12-19)26-23(20)21-13-8-14-31-21/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyZQNCWRZFONRYBD-UHFFFAOYSA-N
XLogP4.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-(diethylamino)ethyl 4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-amido]benzoate hydrochloride
CID 16196245
propan-2-yl 2-hydroxy-4-methyl-6-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,6-dihydropyrimidine-5-carboxylate
CID 2911123
2-methoxyethyl 6-methyl-2-oxo-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2997714
allyl 6-methyl-2-oxo-4-(1-phenyl-3-thien-2-yl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3243136
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
[2-(Cyclopropylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2365802
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 3942941
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 4451417
N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
CID 11834402
3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 17536973
3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 24687472
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 24979276

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (CID 5216649) is [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is CC(NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The InChIKey is ZQNCWRZFONRYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17(18-9-4-2-5-10-18)25-22(28)16-30-24(29)20-15-27(19-11-6-3-7-12-19)26-23(20)21-13-8-14-31-21/h2-15,17H,16H2,1H3,(H,25,28).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate has a molecular weight of 431.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 5216649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).