N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide

C25H19F3N4O2 — CID 2366776

IUPACN-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(-c2cc(Nc3ccccc3NC(=O)C(F)(F)F)n(C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H19F3N4O2/c1-16-11-13-17(14-12-16)21-15-22(32(31-21)23(33)18-7-3-2-4-8-18)29-19-9-5-6-10-20(19)30-24(34)25(26,27)28/h2-15,29H,1H3,(H,30,34)
InChIKeyZTIPTLHXMSZOHT-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.79
Rot. Bonds5

About N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide

N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 2366776) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID2366776
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC NameN-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(-c2cc(Nc3ccccc3NC(=O)C(F)(F)F)n(C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H19F3N4O2/c1-16-11-13-17(14-12-16)21-15-22(32(31-21)23(33)18-7-3-2-4-8-18)29-19-9-5-6-10-20(19)30-24(34)25(26,27)28/h2-15,29H,1H3,(H,30,34)
InChIKeyZTIPTLHXMSZOHT-UHFFFAOYSA-N
XLogP5.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-(4-bromophenyl)-1-phenylpyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 4985286
N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
CID 35138236
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
2,2,2-trifluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 108933509
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
CID 67450721
N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 17038226
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554
2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide
CID 86291550
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
CID 162403367
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide (CID 2366776) is N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide is Cc1ccc(-c2cc(Nc3ccccc3NC(=O)C(F)(F)F)n(C(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZTIPTLHXMSZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-16-11-13-17(14-12-16)21-15-22(32(31-21)23(33)18-7-3-2-4-8-18)29-19-9-5-6-10-20(19)30-24(34)25(26,27)28/h2-15,29H,1H3,(H,30,34).
What are the key properties of N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 464.45 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2366776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).