N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H19Cl2F3N4O2 — CID 55465647

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C22H19Cl2F3N4O2/c1-3-30(12-18(32)29-19-16(23)5-4-6-17(19)24)21(33)15-11-28-31(20(15)22(25,26)27)14-9-7-13(2)8-10-14/h4-11H,3,12H2,1-2H3,(H,29,32)
InChIKeyCVGQJFRYLPQWBL-UHFFFAOYSA-N
MW499.32 g/mol
LogP5.61
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55465647) has the molecular formula C22H19Cl2F3N4O2 and a molecular weight of 499.32 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55465647
Molecular FormulaC22H19Cl2F3N4O2
Molecular Weight499.32 g/mol
Exact Mass498.08
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C22H19Cl2F3N4O2/c1-3-30(12-18(32)29-19-16(23)5-4-6-17(19)24)21(33)15-11-28-31(20(15)22(25,26)27)14-9-7-13(2)8-10-14/h4-11H,3,12H2,1-2H3,(H,29,32)
InChIKeyCVGQJFRYLPQWBL-UHFFFAOYSA-N
XLogP5.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55810939
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 78854945
1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55899479
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24547905
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-[2-(ethylamino)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119508538
1-(4-chlorophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91357633
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 55760078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55465647) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CVGQJFRYLPQWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4O2/c1-3-30(12-18(32)29-19-16(23)5-4-6-17(19)24)21(33)15-11-28-31(20(15)22(25,26)27)14-9-7-13(2)8-10-14/h4-11H,3,12H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 499.32 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55465647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).