4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide

C24H15F6N3O — CID 10005146

IUPAC4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H15F6N3O/c25-23(26,27)18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(24(28,29)30)32-33(20)19-11-7-17(8-12-19)22(31)34/h1-13H,(H2,31,34)
InChIKeyBXBKITPXQDIZHC-UHFFFAOYSA-N
MW475.39 g/mol
LogP6.34
Rot. Bonds4

About 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide

4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide (PubChem CID 10005146) has the molecular formula C24H15F6N3O and a molecular weight of 475.39 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide
PubChem CID10005146
Molecular FormulaC24H15F6N3O
Molecular Weight475.39 g/mol
Exact Mass475.11
IUPAC Name4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H15F6N3O/c25-23(26,27)18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(24(28,29)30)32-33(20)19-11-7-17(8-12-19)22(31)34/h1-13H,(H2,31,34)
InChIKeyBXBKITPXQDIZHC-UHFFFAOYSA-N
XLogP6.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide?
The IUPAC name of 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide (CID 10005146) is 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide?
The canonical SMILES for 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide?
The InChIKey is BXBKITPXQDIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O/c25-23(26,27)18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(24(28,29)30)32-33(20)19-11-7-17(8-12-19)22(31)34/h1-13H,(H2,31,34).
What are the key properties of 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide?
4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide has a molecular weight of 475.39 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 10005146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).