N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C23H18Cl2N4O2S — CID 24981040

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C23H18Cl2N4O2S/c1-28(14-21(30)26-22-16(24)9-5-10-17(22)25)23(31)19-13-18(20-11-6-12-32-20)27-29(19)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,30)
InChIKeyNWAZDPSFLPVTGI-UHFFFAOYSA-N
MW485.40 g/mol
LogP5.62
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 24981040) has the molecular formula C23H18Cl2N4O2S and a molecular weight of 485.40 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID24981040
Molecular FormulaC23H18Cl2N4O2S
Molecular Weight485.40 g/mol
Exact Mass484.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C23H18Cl2N4O2S/c1-28(14-21(30)26-22-16(24)9-5-10-17(22)25)23(31)19-13-18(20-11-6-12-32-20)27-29(19)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,30)
InChIKeyNWAZDPSFLPVTGI-UHFFFAOYSA-N
XLogP5.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide 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

Pyrazole derivative 20
CID 24857045
5-(5-Chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11583616
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11677439
N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3892594
N-[3-(diethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4281981
1-(2,4-Dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 25052855
N-Butyl-1-(2,4-dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 25052923
N-Cyclohexyl-1-(2,4-dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 25052924
1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2-yl)-N-hexyl-4-methyl-1H-pyrazole-3-carboxamide
CID 25053145
1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 44574623
N-(2-chlorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062186
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 24981040) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is NWAZDPSFLPVTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2S/c1-28(14-21(30)26-22-16(24)9-5-10-17(22)25)23(31)19-13-18(20-11-6-12-32-20)27-29(19)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,30).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 485.40 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 24981040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).