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

C24H24N2O2S — CID 46888131

IUPAC5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(SC)cc3)C2)cc1OC
InChIInChI=1S/C24H24N2O2S/c1-27-23-14-11-18(15-24(23)28-2)21-16-22(17-9-12-20(29-3)13-10-17)26(25-21)19-7-5-4-6-8-19/h4-15,22H,16H2,1-3H3
InChIKeyRFFUREJWKADMTI-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.78
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 46888131) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID46888131
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(SC)cc3)C2)cc1OC
InChIInChI=1S/C24H24N2O2S/c1-27-23-14-11-18(15-24(23)28-2)21-16-22(17-9-12-20(29-3)13-10-17)26(25-21)19-7-5-4-6-8-19/h4-15,22H,16H2,1-3H3
InChIKeyRFFUREJWKADMTI-UHFFFAOYSA-N
XLogP5.78
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-1-phenyl-5-(2-thienyl)-
CID 2818668
3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883145
4-[3-(3,4-Dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 2971684
5-(4-Ethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888127
5-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888128
3-(4-methoxyphenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 349866
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 3122025
5-(1,3-Benzodioxol-4-yl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888090
5-(3-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888130
4-[3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71597879
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 127050432
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 127051033

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 46888131) is 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)C(c3ccc(SC)cc3)C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is RFFUREJWKADMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-27-23-14-11-18(15-24(23)28-2)21-16-22(17-9-12-20(29-3)13-10-17)26(25-21)19-7-5-4-6-8-19/h4-15,22H,16H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 404.54 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 46888131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).