3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole

C32H20F6N4 — CID 58947707

IUPAC3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole
SMILESFC(F)(F)c1ccn(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C32H20F6N4/c33-31(34,35)29-17-19-41(39-29)27-15-7-5-13-25(27)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-14-6-8-16-28(26)42-20-18-30(40-42)32(36,37)38/h1-20H
InChIKeyZIAXWNDMIVPBAX-UHFFFAOYSA-N
MW574.53 g/mol
LogP9.10
Rot. Bonds5

About 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole

3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole (PubChem CID 58947707) has the molecular formula C32H20F6N4 and a molecular weight of 574.53 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole
PubChem CID58947707
Molecular FormulaC32H20F6N4
Molecular Weight574.53 g/mol
Exact Mass574.16
IUPAC Name3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole
SMILESFC(F)(F)c1ccn(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C32H20F6N4/c33-31(34,35)29-17-19-41(39-29)27-15-7-5-13-25(27)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-14-6-8-16-28(26)42-20-18-30(40-42)32(36,37)38/h1-20H
InChIKeyZIAXWNDMIVPBAX-UHFFFAOYSA-N
XLogP9.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.53
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole?
The IUPAC name of 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole (CID 58947707) is 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole is FC(F)(F)c1ccn(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole?
The InChIKey is ZIAXWNDMIVPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F6N4/c33-31(34,35)29-17-19-41(39-29)27-15-7-5-13-25(27)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-14-6-8-16-28(26)42-20-18-30(40-42)32(36,37)38/h1-20H.
What are the key properties of 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole?
3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole has a molecular weight of 574.53 g/mol, XLogP of 9.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-[2-[2-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]pyrazole is sourced from PubChem (CID 58947707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).