1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole

C17H15FN2S2 — CID 10544429

IUPAC1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole
SMILESCSc1ccc(-c2cc(SC)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2S2/c1-21-15-9-3-12(4-10-15)16-11-17(22-2)19-20(16)14-7-5-13(18)6-8-14/h3-11H,1-2H3
InChIKeyZKOSFCZACQFKSA-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole

1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole (PubChem CID 10544429) has the molecular formula C17H15FN2S2 and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole
PubChem CID10544429
Molecular FormulaC17H15FN2S2
Molecular Weight330.45 g/mol
Exact Mass330.07
IUPAC Name1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole
SMILESCSc1ccc(-c2cc(SC)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2S2/c1-21-15-9-3-12(4-10-15)16-11-17(22-2)19-20(16)14-7-5-13(18)6-8-14/h3-11H,1-2H3
InChIKeyZKOSFCZACQFKSA-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole
CID 115239
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
4-[2-(4-Fluoro-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzenesulfonamide
CID 9800270
4-[5-(4-Methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10273159
1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole
CID 10362365
4-[5-(3-Methyl-4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10598578
5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-trifluoromethyl-1H-pyrazole
CID 11562265
Cox2-IN-1
CID 10042938
3-Fluoro-4-[5-(4-methylsulfanyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10895294
5-(3-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 53318792
1-[4-(Methylsulfonyl)phenyl]-3-(trifluoromethyl)-5-phenyl-1H-pyrazole
CID 19001581

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole (CID 10544429) is 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole is CSc1ccc(-c2cc(SC)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole?
The InChIKey is ZKOSFCZACQFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S2/c1-21-15-9-3-12(4-10-15)16-11-17(22-2)19-20(16)14-7-5-13(18)6-8-14/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole?
1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole has a molecular weight of 330.45 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylsulfanyl-5-(4-methylsulfanylphenyl)pyrazole is sourced from PubChem (CID 10544429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).