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

C32H24F6N4O — CID 56670352

IUPAC2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C32H24F6N4O/c33-31(34,35)24-12-10-22(11-13-24)21-6-8-23(9-7-21)28-19-29(32(36,37)38)41-42(28)26-16-14-25(15-17-26)40-30(43)27(39)18-20-4-2-1-3-5-20/h1-17,19,27H,18,39H2,(H,40,43)
InChIKeyJLJBKTJUXXMOSG-UHFFFAOYSA-N
MW594.56 g/mol
LogP7.75
Rot. Bonds7

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

2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide (PubChem CID 56670352) has the molecular formula C32H24F6N4O and a molecular weight of 594.56 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide
PubChem CID56670352
Molecular FormulaC32H24F6N4O
Molecular Weight594.56 g/mol
Exact Mass594.19
IUPAC Name2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C32H24F6N4O/c33-31(34,35)24-12-10-22(11-13-24)21-6-8-23(9-7-21)28-19-29(32(36,37)38)41-42(28)26-16-14-25(15-17-26)40-30(43)27(39)18-20-4-2-1-3-5-20/h1-17,19,27H,18,39H2,(H,40,43)
InChIKeyJLJBKTJUXXMOSG-UHFFFAOYSA-N
XLogP7.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.56
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
The IUPAC name of 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide (CID 56670352) is 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
The canonical SMILES for 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide is NC(Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
The InChIKey is JLJBKTJUXXMOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F6N4O/c33-31(34,35)24-12-10-22(11-13-24)21-6-8-23(9-7-21)28-19-29(32(36,37)38)41-42(28)26-16-14-25(15-17-26)40-30(43)27(39)18-20-4-2-1-3-5-20/h1-17,19,27H,18,39H2,(H,40,43).
What are the key properties of 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide?
2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide has a molecular weight of 594.56 g/mol, XLogP of 7.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 56670352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).