2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide

C24H16Cl2F3N3O — CID 11827067

IUPAC2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
SMILESO=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)Nc1ccccc1
InChIInChI=1S/C24H16Cl2F3N3O/c25-20-10-9-15(11-21(20)26)23-16(12-22(33)30-18-6-2-1-3-7-18)14-32(31-23)19-8-4-5-17(13-19)24(27,28)29/h1-11,13-14H,12H2,(H,30,33)
InChIKeyZABONYUECMGVPY-UHFFFAOYSA-N
MW490.31 g/mol
LogP7.05
Rot. Bonds5

About 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide

2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide (PubChem CID 11827067) has the molecular formula C24H16Cl2F3N3O and a molecular weight of 490.31 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
PubChem CID11827067
Molecular FormulaC24H16Cl2F3N3O
Molecular Weight490.31 g/mol
Exact Mass489.06
IUPAC Name2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
SMILESO=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)Nc1ccccc1
InChIInChI=1S/C24H16Cl2F3N3O/c25-20-10-9-15(11-21(20)26)23-16(12-22(33)30-18-6-2-1-3-7-18)14-32(31-23)19-8-4-5-17(13-19)24(27,28)29/h1-11,13-14H,12H2,(H,30,33)
InChIKeyZABONYUECMGVPY-UHFFFAOYSA-N
XLogP7.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.31
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 10982289
3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 11069064
2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 11004574
N,N-dimethyl-2-[3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 11784017
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 9162963
2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 10972315
2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
CID 11081267
2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
N-(3-acetamidophenyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 34756945
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572214
4-[4-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
CID 155813475
[2-[4-[2-(dimethylamino)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-9H-fluoren-9-yl] acetate
CID 10951429

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide (CID 11827067) is 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide is O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)Nc1ccccc1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide?
The InChIKey is ZABONYUECMGVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O/c25-20-10-9-15(11-21(20)26)23-16(12-22(33)30-18-6-2-1-3-7-18)14-32(31-23)19-8-4-5-17(13-19)24(27,28)29/h1-11,13-14H,12H2,(H,30,33).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide?
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide has a molecular weight of 490.31 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 11827067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).