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

C31H25F3N4O — CID 44763232

IUPAC4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H25F3N4O/c32-31(33,34)25-13-7-12-24(18-25)28-19-29(35)38(37-28)26-16-14-23(15-17-26)30(39)36-20-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-19,27H,20,35H2,(H,36,39)
InChIKeyLGOPEJFMBFXZKJ-UHFFFAOYSA-N
MW526.56 g/mol
LogP6.70
Rot. Bonds7

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

4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide (PubChem CID 44763232) has the molecular formula C31H25F3N4O and a molecular weight of 526.56 g/mol. Its IUPAC name is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide
PubChem CID44763232
Molecular FormulaC31H25F3N4O
Molecular Weight526.56 g/mol
Exact Mass526.20
IUPAC Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H25F3N4O/c32-31(33,34)25-13-7-12-24(18-25)28-19-29(35)38(37-28)26-16-14-23(15-17-26)30(39)36-20-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-19,27H,20,35H2,(H,36,39)
InChIKeyLGOPEJFMBFXZKJ-UHFFFAOYSA-N
XLogP6.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.56
LogP ≤ 56.70
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-(4-methylpentan-2-yl)benzamide
CID 44763218
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083
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-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 44763350
N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide
CID 130431732
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
CID 44763412
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 44763355
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
CID 44763130
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide?
The IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide (CID 44763232) is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide.
What is the SMILES notation for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide?
The canonical SMILES for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide is Nc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide?
The InChIKey is LGOPEJFMBFXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N4O/c32-31(33,34)25-13-7-12-24(18-25)28-19-29(35)38(37-28)26-16-14-23(15-17-26)30(39)36-20-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-19,27H,20,35H2,(H,36,39).
What are the key properties of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide?
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide has a molecular weight of 526.56 g/mol, XLogP of 6.70, 7 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-(2,2-diphenylethyl)benzamide is sourced from PubChem (CID 44763232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).