5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole

C19H14ClFN4O2S — CID 156757051

IUPAC5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole
SMILESCS(=O)(=O)c1nn(-c2ccccc2F)c(-c2ccc(Cl)cc2)c1-n1ccnc1
InChIInChI=1S/C19H14ClFN4O2S/c1-28(26,27)19-18(24-11-10-22-12-24)17(13-6-8-14(20)9-7-13)25(23-19)16-5-3-2-4-15(16)21/h2-12H,1H3
InChIKeyNSKUTMLQQVTPMZ-UHFFFAOYSA-N
MW416.87 g/mol
LogP3.92
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole

5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole (PubChem CID 156757051) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole
PubChem CID156757051
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC Name5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole
SMILESCS(=O)(=O)c1nn(-c2ccccc2F)c(-c2ccc(Cl)cc2)c1-n1ccnc1
InChIInChI=1S/C19H14ClFN4O2S/c1-28(26,27)19-18(24-11-10-22-12-24)17(13-6-8-14(20)9-7-13)25(23-19)16-5-3-2-4-15(16)21/h2-12H,1H3
InChIKeyNSKUTMLQQVTPMZ-UHFFFAOYSA-N
XLogP3.92
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole (CID 156757051) is 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole is CS(=O)(=O)c1nn(-c2ccccc2F)c(-c2ccc(Cl)cc2)c1-n1ccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole?
The InChIKey is NSKUTMLQQVTPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c1-28(26,27)19-18(24-11-10-22-12-24)17(13-6-8-14(20)9-7-13)25(23-19)16-5-3-2-4-15(16)21/h2-12H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole?
5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole has a molecular weight of 416.87 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-imidazol-1-yl-3-methylsulfonylpyrazole is sourced from PubChem (CID 156757051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).