2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol

C25H18Cl3F3N2O — CID 59632378

IUPAC2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C25H18Cl3F3N2O/c1-24(2,34)16-6-3-5-14(11-16)15-9-10-17(20(28)12-15)21-13-22(25(29,30)31)32-33(21)23-18(26)7-4-8-19(23)27/h3-13,34H,1-2H3
InChIKeyLZZSYSQHUVLONA-UHFFFAOYSA-N
MW525.79 g/mol
LogP8.41
Rot. Bonds4

About 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol

2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol (PubChem CID 59632378) has the molecular formula C25H18Cl3F3N2O and a molecular weight of 525.79 g/mol. Its IUPAC name is 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
PubChem CID59632378
Molecular FormulaC25H18Cl3F3N2O
Molecular Weight525.79 g/mol
Exact Mass524.04
IUPAC Name2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C25H18Cl3F3N2O/c1-24(2,34)16-6-3-5-14(11-16)15-9-10-17(20(28)12-15)21-13-22(25(29,30)31)32-33(21)23-18(26)7-4-8-19(23)27/h3-13,34H,1-2H3
InChIKeyLZZSYSQHUVLONA-UHFFFAOYSA-N
XLogP8.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.79
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol 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 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol (CID 59632378) is 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
The InChIKey is LZZSYSQHUVLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3F3N2O/c1-24(2,34)16-6-3-5-14(11-16)15-9-10-17(20(28)12-15)21-13-22(25(29,30)31)32-33(21)23-18(26)7-4-8-19(23)27/h3-13,34H,1-2H3.
What are the key properties of 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol has a molecular weight of 525.79 g/mol, XLogP of 8.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-chloro-4-[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 59632378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).