N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C26H21ClF3N3O — CID 118518793

IUPACN-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1ccc(C)c(-c2cc(C(F)(F)F)nn2C)c1C(=O)Nc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C26H21ClF3N3O/c1-15-9-10-16(2)24(23(15)21-14-22(26(28,29)30)32-33(21)3)25(34)31-18-11-12-19(20(27)13-18)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,31,34)
InChIKeyQGBAANKVEQWWAR-UHFFFAOYSA-N
MW483.92 g/mol
LogP7.30
Rot. Bonds4

About N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 118518793) has the molecular formula C26H21ClF3N3O and a molecular weight of 483.92 g/mol. Its IUPAC name is N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID118518793
Molecular FormulaC26H21ClF3N3O
Molecular Weight483.92 g/mol
Exact Mass483.13
IUPAC NameN-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1ccc(C)c(-c2cc(C(F)(F)F)nn2C)c1C(=O)Nc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C26H21ClF3N3O/c1-15-9-10-16(2)24(23(15)21-14-22(26(28,29)30)32-33(21)3)25(34)31-18-11-12-19(20(27)13-18)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,31,34)
InChIKeyQGBAANKVEQWWAR-UHFFFAOYSA-N
XLogP7.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.92
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90393664
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
N-(3-chloro-4-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001423
4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 90393685
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 59632538
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90395928
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 90393640
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
2-chloro-N-[2-methoxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 67468607
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
CID 90393649

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 118518793) is N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cc1ccc(C)c(-c2cc(C(F)(F)F)nn2C)c1C(=O)Nc1ccc(-c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is QGBAANKVEQWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O/c1-15-9-10-16(2)24(23(15)21-14-22(26(28,29)30)32-33(21)3)25(34)31-18-11-12-19(20(27)13-18)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,31,34).
What are the key properties of N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 483.92 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-phenylphenyl)-3,6-dimethyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 118518793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).