N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C24H16ClF4N3O — CID 46088027

IUPACN-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H16ClF4N3O/c1-14-2-8-20(9-3-14)32-22(13-21(31-32)15-4-6-18(25)7-5-15)30-23(33)16-10-17(24(27,28)29)12-19(26)11-16/h2-13H,1H3,(H,30,33)
InChIKeyBBUNEHXAKBCFBC-UHFFFAOYSA-N
MW473.86 g/mol
LogP6.91
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 46088027) has the molecular formula C24H16ClF4N3O and a molecular weight of 473.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID46088027
Molecular FormulaC24H16ClF4N3O
Molecular Weight473.86 g/mol
Exact Mass473.09
IUPAC NameN-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H16ClF4N3O/c1-14-2-8-20(9-3-14)32-22(13-21(31-32)15-4-6-18(25)7-5-15)30-23(33)16-10-17(24(27,28)29)12-19(26)11-16/h2-13H,1H3,(H,30,33)
InChIKeyBBUNEHXAKBCFBC-UHFFFAOYSA-N
XLogP6.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.86
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
CID 46087774
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112833487
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 40868735

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 46088027) is N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is BBUNEHXAKBCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF4N3O/c1-14-2-8-20(9-3-14)32-22(13-21(31-32)15-4-6-18(25)7-5-15)30-23(33)16-10-17(24(27,28)29)12-19(26)11-16/h2-13H,1H3,(H,30,33).
What are the key properties of N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 473.86 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46088027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).