1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H18ClF3N4O3S — CID 90978566

IUPAC1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(N(Cc2ccccn2)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N4O3S/c1-36(34,35)20-7-4-6-19(13-20)31(15-17-5-2-3-12-29-17)23(33)21-14-30-32(22(21)24(26,27)28)18-10-8-16(25)9-11-18/h2-14H,15H2,1H3
InChIKeyFYPYYJRKIWNQEU-UHFFFAOYSA-N
MW534.95 g/mol
LogP5.19
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90978566) has the molecular formula C24H18ClF3N4O3S and a molecular weight of 534.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90978566
Molecular FormulaC24H18ClF3N4O3S
Molecular Weight534.95 g/mol
Exact Mass534.07
IUPAC Name1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(N(Cc2ccccn2)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N4O3S/c1-36(34,35)20-7-4-6-19(13-20)31(15-17-5-2-3-12-29-17)23(33)21-14-30-32(22(21)24(26,27)28)18-10-8-16(25)9-11-18/h2-14H,15H2,1H3
InChIKeyFYPYYJRKIWNQEU-UHFFFAOYSA-N
XLogP5.19
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.95
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 87445871
1-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethylsulfamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90935405
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55890240
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889987
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide
CID 71685268
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24547905
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
1-(4-chlorophenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91583772

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 90978566) is 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CS(=O)(=O)c1cccc(N(Cc2ccccn2)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FYPYYJRKIWNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O3S/c1-36(34,35)20-7-4-6-19(13-20)31(15-17-5-2-3-12-29-17)23(33)21-14-30-32(22(21)24(26,27)28)18-10-8-16(25)9-11-18/h2-14H,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 534.95 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90978566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).