[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol

C18H15F3N2O3S — CID 44589773

IUPAC[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-27(25,26)15-8-6-14(7-9-15)23-16(10-17(22-23)18(19,20)21)13-4-2-12(11-24)3-5-13/h2-10,24H,11H2,1H3
InChIKeyPZGLSVDHBUNPKY-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.45
Rot. Bonds4

About [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol

[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol (PubChem CID 44589773) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol
PubChem CID44589773
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-27(25,26)15-8-6-14(7-9-15)23-16(10-17(22-23)18(19,20)21)13-4-2-12(11-24)3-5-13/h2-10,24H,11H2,1H3
InChIKeyPZGLSVDHBUNPKY-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

4'-Hydroxycelecoxib
CID 9908776
1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15a)
CID 136961752
2-Hydroxymethyl-4-[5-(4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9803459
2-Hydroxymethyl-4-(5-m-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 9822883
1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole
CID 10362365
4-(3-Hydroxymethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10471772
2-Hydroxymethyl-4-(5-p-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 44364629
3-[3-(Hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 67662627
4-(3-Hydroxymethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 68819643
1-(4-Methanesulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15b)
CID 118855476
3-(3,4-Difluorophenyl)-1-(4-methanesulfonylphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15f)
CID 118855480
4-[5-(4-Cyanophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 71578723

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol?
The IUPAC name of [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol (CID 44589773) is [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol?
The canonical SMILES for [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol?
The InChIKey is PZGLSVDHBUNPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-27(25,26)15-8-6-14(7-9-15)23-16(10-17(22-23)18(19,20)21)13-4-2-12(11-24)3-5-13/h2-10,24H,11H2,1H3.
What are the key properties of [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol?
[4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol has a molecular weight of 396.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol is sourced from PubChem (CID 44589773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).