3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole

C18H15F3N2O2S — CID 18355439

IUPAC3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole
SMILESCc1cc(-n2nc(C(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C18H15F3N2O2S/c1-11-9-13(5-8-15(11)19)23-17(10-16(22-23)18(20)21)12-3-6-14(7-4-12)26(2,24)25/h3-10,18H,1-2H3
InChIKeyWRKSQWHEZRETRX-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.33
Rot. Bonds4

About 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole

3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole (PubChem CID 18355439) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole
PubChem CID18355439
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC Name3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole
SMILESCc1cc(-n2nc(C(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C18H15F3N2O2S/c1-11-9-13(5-8-15(11)19)23-17(10-16(22-23)18(20)21)12-3-6-14(7-4-12)26(2,24)25/h3-10,18H,1-2H3
InChIKeyWRKSQWHEZRETRX-UHFFFAOYSA-N
XLogP4.33
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole 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

3-(difluoromethyl)-1-(2,5-difluoro-4-methylsulfonylphenyl)-5-(4-fluoro-3-methylphenyl)pyrazole
CID 22746756
1-(1,3-benzodioxol-5-yl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 22909693
3-(difluoromethyl)-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 67736071
3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
CID 10112843
2-[3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazol-5-yl]-6-fluoro-5-methyl-1,3-benzothiazole
CID 23285453
3-(difluoromethyl)-1-(3,5-difluoro-4-methylsulfonylphenyl)-5-(3,4-dimethylphenyl)pyrazole
CID 22745907
1-(3-bromo-4-methylphenyl)-3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)pyrazole
CID 22745597
5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylphenyl)pyrazole
CID 143036335
4-[3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 22747330
2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 18624104
4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol
CID 67804250
3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-1-(3-fluoro-4-methylphenyl)pyrazole
CID 22745819

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole (CID 18355439) is 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole is Cc1cc(-n2nc(C(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1F.
What is the InChIKey of 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is WRKSQWHEZRETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-11-9-13(5-8-15(11)19)23-17(10-16(22-23)18(20)21)12-3-6-14(7-4-12)26(2,24)25/h3-10,18H,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole?
3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 380.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 18355439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).