3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole

C33H22F6N4 — CID 59816892

IUPAC3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1
InChIInChI=1S/C33H22F6N4/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39/h1-22H
InChIKeySSYNYHVIBVPKOZ-UHFFFAOYSA-N
MW588.56 g/mol
LogP8.48
Rot. Bonds6

About 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole

3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 59816892) has the molecular formula C33H22F6N4 and a molecular weight of 588.56 g/mol. Its IUPAC name is 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID59816892
Molecular FormulaC33H22F6N4
Molecular Weight588.56 g/mol
Exact Mass588.17
IUPAC Name3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1
InChIInChI=1S/C33H22F6N4/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39/h1-22H
InChIKeySSYNYHVIBVPKOZ-UHFFFAOYSA-N
XLogP8.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.56
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]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 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 59816892) is 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccc(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1.
What is the InChIKey of 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is SSYNYHVIBVPKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F6N4/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39/h1-22H.
What are the key properties of 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole?
3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 588.56 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diphenyl-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 59816892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).