3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide

C26H20F6N4O — CID 56677185

IUPAC3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H20F6N4O/c27-25(28,29)19-7-5-17(6-8-19)16-1-3-18(4-2-16)22-15-23(26(30,31)32)35-36(22)21-11-9-20(10-12-21)34-24(37)13-14-33/h1-12,15H,13-14,33H2,(H,34,37)
InChIKeySYGFNXGOOYJBGO-UHFFFAOYSA-N
MW518.46 g/mol
LogP6.53
Rot. Bonds6

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

3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide (PubChem CID 56677185) has the molecular formula C26H20F6N4O and a molecular weight of 518.46 g/mol. Its IUPAC name is 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide
PubChem CID56677185
Molecular FormulaC26H20F6N4O
Molecular Weight518.46 g/mol
Exact Mass518.15
IUPAC Name3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H20F6N4O/c27-25(28,29)19-7-5-17(6-8-19)16-1-3-18(4-2-16)22-15-23(26(30,31)32)35-36(22)21-11-9-20(10-12-21)34-24(37)13-14-33/h1-12,15H,13-14,33H2,(H,34,37)
InChIKeySYGFNXGOOYJBGO-UHFFFAOYSA-N
XLogP6.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide
CID 10027278
Ilk-IN-1
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N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide
CID 139593556
4-amino-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]benzamide
CID 118366026
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CID 997166
n-({4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]phenyl}methyl)propanamide
CID 50992932
N-ethyl-3-[1-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide
CID 54577250
3-[1-[4-(dimethylsulfamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118366027
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 25106146
N-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 25106224
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 25106308
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide (CID 56677185) is 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide is NCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
The InChIKey is SYGFNXGOOYJBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N4O/c27-25(28,29)19-7-5-17(6-8-19)16-1-3-18(4-2-16)22-15-23(26(30,31)32)35-36(22)21-11-9-20(10-12-21)34-24(37)13-14-33/h1-12,15H,13-14,33H2,(H,34,37).
What are the key properties of 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide has a molecular weight of 518.46 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 56677185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).