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

C23H19ClN4O2S — CID 24982273

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C23H19ClN4O2S/c1-27(15-22(29)25-18-11-6-5-10-17(18)24)23(30)20-14-19(21-12-7-13-31-21)26-28(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,29)
InChIKeyVQRLUVHYYJTFJI-UHFFFAOYSA-N
MW450.95 g/mol
LogP4.96
Rot. Bonds6

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

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 24982273) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID24982273
Molecular FormulaC23H19ClN4O2S
Molecular Weight450.95 g/mol
Exact Mass450.09
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C23H19ClN4O2S/c1-27(15-22(29)25-18-11-6-5-10-17(18)24)23(30)20-14-19(21-12-7-13-31-21)26-28(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,29)
InChIKeyVQRLUVHYYJTFJI-UHFFFAOYSA-N
XLogP4.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 16275207
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24981040
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
N-(2-chlorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062186
N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062194
4-amino-N-(2-chlorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062205
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052
N-(3,5-dichlorophenyl)-5-methyl-1-thiophen-2-ylpyrazole-3-carboxamide
CID 44313505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 24982273) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is VQRLUVHYYJTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c1-27(15-22(29)25-18-11-6-5-10-17(18)24)23(30)20-14-19(21-12-7-13-31-21)26-28(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,29).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 450.95 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 24982273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).