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

C17H13ClF2N2O2S — CID 15340996

IUPAC5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClF2N2O2S/c1-25(23,24)14-8-6-13(7-9-14)22-16(10-15(21-22)17(19)20)11-2-4-12(18)5-3-11/h2-10,17H,1H3
InChIKeyAQDJPFAVUYYCCP-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.53
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole (PubChem CID 15340996) has the molecular formula C17H13ClF2N2O2S and a molecular weight of 382.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole
PubChem CID15340996
Molecular FormulaC17H13ClF2N2O2S
Molecular Weight382.82 g/mol
Exact Mass382.04
IUPAC Name5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClF2N2O2S/c1-25(23,24)14-8-6-13(7-9-14)22-16(10-15(21-22)17(19)20)11-2-4-12(18)5-3-11/h2-10,17H,1H3
InChIKeyAQDJPFAVUYYCCP-UHFFFAOYSA-N
XLogP4.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole (CID 15340996) is 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is AQDJPFAVUYYCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2S/c1-25(23,24)14-8-6-13(7-9-14)22-16(10-15(21-22)17(19)20)11-2-4-12(18)5-3-11/h2-10,17H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole?
5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 382.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 15340996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).