4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole

C25H21ClF2N2O2S — CID 19355466

IUPAC4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClF2N2O2S/c1-33(31,32)21-13-9-19(10-14-21)23-22(18-7-11-20(26)12-8-18)24(25(27)28)30(29-23)16-15-17-5-3-2-4-6-17/h2-14,25H,15-16H2,1H3
InChIKeyXEPSMWGEWUZQDI-UHFFFAOYSA-N
MW486.97 g/mol
LogP6.45
Rot. Bonds7

About 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole

4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole (PubChem CID 19355466) has the molecular formula C25H21ClF2N2O2S and a molecular weight of 486.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole
PubChem CID19355466
Molecular FormulaC25H21ClF2N2O2S
Molecular Weight486.97 g/mol
Exact Mass486.10
IUPAC Name4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClF2N2O2S/c1-33(31,32)21-13-9-19(10-14-21)23-22(18-7-11-20(26)12-8-18)24(25(27)28)30(29-23)16-15-17-5-3-2-4-6-17/h2-14,25H,15-16H2,1H3
InChIKeyXEPSMWGEWUZQDI-UHFFFAOYSA-N
XLogP6.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.97
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)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 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole (CID 19355466) is 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole is CS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
The InChIKey is XEPSMWGEWUZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N2O2S/c1-33(31,32)21-13-9-19(10-14-21)23-22(18-7-11-20(26)12-8-18)24(25(27)28)30(29-23)16-15-17-5-3-2-4-6-17/h2-14,25H,15-16H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole?
4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole has a molecular weight of 486.97 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 19355466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).