4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide

C26H17ClF3N5O — CID 59631754

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C26H17ClF3N5O/c27-21-3-1-2-4-22(21)35-23(15-24(33-35)26(28,29)30)17-5-7-18(8-6-17)25(36)32-19-9-11-20(12-10-19)34-14-13-31-16-34/h1-16H,(H,32,36)
InChIKeyZBAHRRKRIATCIE-UHFFFAOYSA-N
MW507.90 g/mol
LogP6.65
Rot. Bonds5

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide (PubChem CID 59631754) has the molecular formula C26H17ClF3N5O and a molecular weight of 507.90 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide
PubChem CID59631754
Molecular FormulaC26H17ClF3N5O
Molecular Weight507.90 g/mol
Exact Mass507.11
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C26H17ClF3N5O/c27-21-3-1-2-4-22(21)35-23(15-24(33-35)26(28,29)30)17-5-7-18(8-6-17)25(36)32-19-9-11-20(12-10-19)34-14-13-31-16-34/h1-16H,(H,32,36)
InChIKeyZBAHRRKRIATCIE-UHFFFAOYSA-N
XLogP6.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.90
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxyphenyl)benzamide
CID 59633353
4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]amino]phthalic acid
CID 59633334
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 59631838
N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 59631667
N-(3-acetylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 68655668
5-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]amino]-2-hydroxybenzoic acid
CID 59631884
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,6-difluorophenyl)benzamide
CID 59633208
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 59632992
N-(5-acetamido-2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 59633084
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 59632042
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide
CID 68655922
methyl 3-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]amino]benzoate
CID 68655779

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide (CID 59631754) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide?
The InChIKey is ZBAHRRKRIATCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N5O/c27-21-3-1-2-4-22(21)35-23(15-24(33-35)26(28,29)30)17-5-7-18(8-6-17)25(36)32-19-9-11-20(12-10-19)34-14-13-31-16-34/h1-16H,(H,32,36).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide has a molecular weight of 507.90 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 59631754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).