5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole

C22H19FN2S — CID 46888129

IUPAC5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H19FN2S/c1-26-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25(22)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
InChIKeySNUAJIKHMBJYJY-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.90
Rot. Bonds4

About 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole

5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 46888129) has the molecular formula C22H19FN2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID46888129
Molecular FormulaC22H19FN2S
Molecular Weight362.47 g/mol
Exact Mass362.13
IUPAC Name5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H19FN2S/c1-26-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25(22)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
InChIKeySNUAJIKHMBJYJY-UHFFFAOYSA-N
XLogP5.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 46888129) is 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is CSc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is SNUAJIKHMBJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2S/c1-26-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25(22)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 362.47 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 46888129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).