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

C19H17ClF2N2O2S — CID 19355955

IUPAC4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
SMILESCCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1C(F)F
InChIInChI=1S/C19H17ClF2N2O2S/c1-3-24-18(19(21)22)16(12-4-8-14(20)9-5-12)17(23-24)13-6-10-15(11-7-13)27(2,25)26/h4-11,19H,3H2,1-2H3
InChIKeyYTXCXXLTHWBGLH-UHFFFAOYSA-N
MW410.87 g/mol
LogP5.23
Rot. Bonds5

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

4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole (PubChem CID 19355955) has the molecular formula C19H17ClF2N2O2S and a molecular weight of 410.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
PubChem CID19355955
Molecular FormulaC19H17ClF2N2O2S
Molecular Weight410.87 g/mol
Exact Mass410.07
IUPAC Name4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
SMILESCCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1C(F)F
InChIInChI=1S/C19H17ClF2N2O2S/c1-3-24-18(19(21)22)16(12-4-8-14(20)9-5-12)17(23-24)13-6-10-15(11-7-13)27(2,25)26/h4-11,19H,3H2,1-2H3
InChIKeyYTXCXXLTHWBGLH-UHFFFAOYSA-N
XLogP5.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-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 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole (CID 19355955) is 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole is CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1C(F)F.
What is the InChIKey of 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is YTXCXXLTHWBGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2S/c1-3-24-18(19(21)22)16(12-4-8-14(20)9-5-12)17(23-24)13-6-10-15(11-7-13)27(2,25)26/h4-11,19H,3H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 410.87 g/mol, XLogP of 5.23, 5 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)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 19355955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).