1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole

C24H19ClF2N2O2S — CID 19355635

IUPAC1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClF2N2O2S/c1-32(30,31)20-13-9-18(10-14-20)22-21(17-7-11-19(25)12-8-17)23(24(26)27)29(28-22)15-16-5-3-2-4-6-16/h2-14,24H,15H2,1H3
InChIKeyVWQQROSDGWDOFF-UHFFFAOYSA-N
MW472.94 g/mol
LogP6.26
Rot. Bonds6

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

1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole (PubChem CID 19355635) has the molecular formula C24H19ClF2N2O2S and a molecular weight of 472.94 g/mol. Its IUPAC name is 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole
PubChem CID19355635
Molecular FormulaC24H19ClF2N2O2S
Molecular Weight472.94 g/mol
Exact Mass472.08
IUPAC Name1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClF2N2O2S/c1-32(30,31)20-13-9-18(10-14-20)22-21(17-7-11-19(25)12-8-17)23(24(26)27)29(28-22)15-16-5-3-2-4-6-16/h2-14,24H,15H2,1H3
InChIKeyVWQQROSDGWDOFF-UHFFFAOYSA-N
XLogP6.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.94
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole (CID 19355635) is 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is VWQQROSDGWDOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N2O2S/c1-32(30,31)20-13-9-18(10-14-20)22-21(17-7-11-19(25)12-8-17)23(24(26)27)29(28-22)15-16-5-3-2-4-6-16/h2-14,24H,15H2,1H3.
What are the key properties of 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole?
1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 472.94 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 19355635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).