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

C23H22N2S — CID 46888091

IUPAC5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H22N2S/c1-17-8-10-18(11-9-17)22-16-23(19-12-14-21(26-2)15-13-19)25(24-22)20-6-4-3-5-7-20/h3-15,23H,16H2,1-2H3
InChIKeyWTUPPCHNDFCPDL-UHFFFAOYSA-N
MW358.51 g/mol
LogP6.07
Rot. Bonds4

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

5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 46888091) has the molecular formula C23H22N2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID46888091
Molecular FormulaC23H22N2S
Molecular Weight358.51 g/mol
Exact Mass358.15
IUPAC Name5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H22N2S/c1-17-8-10-18(11-9-17)22-16-23(19-12-14-21(26-2)15-13-19)25(24-22)20-6-4-3-5-7-20/h3-15,23H,16H2,1-2H3
InChIKeyWTUPPCHNDFCPDL-UHFFFAOYSA-N
XLogP6.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 46888091) is 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is CSc1ccc(C2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is WTUPPCHNDFCPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S/c1-17-8-10-18(11-9-17)22-16-23(19-12-14-21(26-2)15-13-19)25(24-22)20-6-4-3-5-7-20/h3-15,23H,16H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 358.51 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 46888091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).