1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol

C24H18F9N3O — CID 21082160

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol
SMILESCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1cc(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C24H18F9N3O/c1-13-9-15-10-17(21(37,23(28,29)30)24(31,32)33)7-8-20(15)36(13)12-18-11-19(34-35(18)2)14-3-5-16(6-4-14)22(25,26)27/h3-11,37H,12H2,1-2H3
InChIKeyBKKNGTGTODMIAT-UHFFFAOYSA-N
MW535.41 g/mol
LogP6.73
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol (PubChem CID 21082160) has the molecular formula C24H18F9N3O and a molecular weight of 535.41 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol
PubChem CID21082160
Molecular FormulaC24H18F9N3O
Molecular Weight535.41 g/mol
Exact Mass535.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol
SMILESCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1cc(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C24H18F9N3O/c1-13-9-15-10-17(21(37,23(28,29)30)24(31,32)33)7-8-20(15)36(13)12-18-11-19(34-35(18)2)14-3-5-16(6-4-14)22(25,26)27/h3-11,37H,12H2,1-2H3
InChIKeyBKKNGTGTODMIAT-UHFFFAOYSA-N
XLogP6.73
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.41
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]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 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol (CID 21082160) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol is Cc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1cc(-c2ccc(C(F)(F)F)cc2)nn1C.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol?
The InChIKey is BKKNGTGTODMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F9N3O/c1-13-9-15-10-17(21(37,23(28,29)30)24(31,32)33)7-8-20(15)36(13)12-18-11-19(34-35(18)2)14-3-5-16(6-4-14)22(25,26)27/h3-11,37H,12H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol has a molecular weight of 535.41 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]indol-5-yl]propan-2-ol is sourced from PubChem (CID 21082160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).