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

C26H16F6N4 — CID 118529580

IUPAC5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(C(F)(F)F)cc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C26H16F6N4/c27-25(28,29)19-8-4-15(5-9-19)21-13-23(35-33-21)17-2-1-3-18(12-17)24-14-22(34-36-24)16-6-10-20(11-7-16)26(30,31)32/h1-14H,(H,33,35)(H,34,36)
InChIKeyWUQZECQSPZMZEX-UHFFFAOYSA-N
MW498.43 g/mol
LogP7.84
Rot. Bonds4

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

5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 118529580) has the molecular formula C26H16F6N4 and a molecular weight of 498.43 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID118529580
Molecular FormulaC26H16F6N4
Molecular Weight498.43 g/mol
Exact Mass498.13
IUPAC Name5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(C(F)(F)F)cc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C26H16F6N4/c27-25(28,29)19-8-4-15(5-9-19)21-13-23(35-33-21)17-2-1-3-18(12-17)24-14-22(34-36-24)16-6-10-20(11-7-16)26(30,31)32/h1-14H,(H,33,35)(H,34,36)
InChIKeyWUQZECQSPZMZEX-UHFFFAOYSA-N
XLogP7.84
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.43
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 118529580) is 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is FC(F)(F)c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(C(F)(F)F)cc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is WUQZECQSPZMZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N4/c27-25(28,29)19-8-4-15(5-9-19)21-13-23(35-33-21)17-2-1-3-18(12-17)24-14-22(34-36-24)16-6-10-20(11-7-16)26(30,31)32/h1-14H,(H,33,35)(H,34,36).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 498.43 g/mol, XLogP of 7.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 118529580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).