4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C23H14Cl2F3N3O — CID 71150213

IUPAC4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cccc(Cl)c3)cc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O/c24-16-3-1-2-14(10-16)15-6-9-18(19(25)11-15)20-12-21(23(26,27)28)30-31(20)17-7-4-13(5-8-17)22(29)32/h1-12H,(H2,29,32)
InChIKeyBHIVILJTLGCBBG-UHFFFAOYSA-N
MW476.29 g/mol
LogP6.63
Rot. Bonds4

About 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide

4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 71150213) has the molecular formula C23H14Cl2F3N3O and a molecular weight of 476.29 g/mol. Its IUPAC name is 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID71150213
Molecular FormulaC23H14Cl2F3N3O
Molecular Weight476.29 g/mol
Exact Mass475.05
IUPAC Name4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cccc(Cl)c3)cc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O/c24-16-3-1-2-14(10-16)15-6-9-18(19(25)11-15)20-12-21(23(26,27)28)30-31(20)17-7-4-13(5-8-17)22(29)32/h1-12H,(H2,29,32)
InChIKeyBHIVILJTLGCBBG-UHFFFAOYSA-N
XLogP6.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.29
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10412689
1-[3-chloro-4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylurea
CID 22315556
4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 159710404
5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 10451628
N-(2,5-dichlorophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832575
S-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiohydroxylamine
CID 145117691
1-(3-chlorophenyl)-3-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 86344311
4-[1-(4-aminosulfanylperoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoic acid
CID 23394606
N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide
CID 58955785
1-[4-[1-[4-[amino(dihydroxy)-λ4-sulfanyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methyl-2-nitrosobutane-1,3-dione;1-[4-[1-[4-[amino(dihydroxy)-λ4-sulfanyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methyl-2-nitrosopropan-1-one
CID 91525617
[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 152770734
2-[5-[2-[5-(2,4-dichlorophenyl)triazol-1-yl]-4-(3-methylsulfonylphenyl)phenyl]-1-methylpyrazol-3-yl]-2,2-difluoroacetamide
CID 86276079

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 71150213) is 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cccc(Cl)c3)cc2Cl)cc1.
What is the InChIKey of 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is BHIVILJTLGCBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O/c24-16-3-1-2-14(10-16)15-6-9-18(19(25)11-15)20-12-21(23(26,27)28)30-31(20)17-7-4-13(5-8-17)22(29)32/h1-12H,(H2,29,32).
What are the key properties of 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 476.29 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-chloro-4-(3-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 71150213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).