4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide

C23H25F3N4O — CID 44763218

IUPAC4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)cc1
InChIInChI=1S/C23H25F3N4O/c1-14(2)11-15(3)28-22(31)16-7-9-19(10-8-16)30-21(27)13-20(29-30)17-5-4-6-18(12-17)23(24,25)26/h4-10,12-15H,11,27H2,1-3H3,(H,28,31)
InChIKeyWBDVIACPUJKNQU-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.30
Rot. Bonds6

About 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide

4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide (PubChem CID 44763218) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
PubChem CID44763218
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)cc1
InChIInChI=1S/C23H25F3N4O/c1-14(2)11-15(3)28-22(31)16-7-9-19(10-8-16)30-21(27)13-20(29-30)17-5-4-6-18(12-17)23(24,25)26/h4-10,12-15H,11,27H2,1-3H3,(H,28,31)
InChIKeyWBDVIACPUJKNQU-UHFFFAOYSA-N
XLogP5.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide
CID 44763232
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
cis-ethyl (1R,2S)-2-[[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoyl]amino]cyclohexane-1-carboxylate
CID 44763267
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 44763350
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
CID 44763412
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
N-[(2S)-4-phenylbutan-2-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92772919
4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
N-[4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-4-phenylbenzamide
CID 42665287
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41144986
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide (CID 44763218) is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1ccc(-n2nc(-c3cccc(C(F)(F)F)c3)cc2N)cc1.
What is the InChIKey of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is WBDVIACPUJKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-14(2)11-15(3)28-22(31)16-7-9-19(10-8-16)30-21(27)13-20(29-30)17-5-4-6-18(12-17)23(24,25)26/h4-10,12-15H,11,27H2,1-3H3,(H,28,31).
What are the key properties of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide?
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 430.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 44763218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).