3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole

C22H20N2S — CID 12581135

IUPAC3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2S/c1-25-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23-24(22)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3
InChIKeyXFPPGPIVOGTDAC-UHFFFAOYSA-N
MW344.48 g/mol
LogP5.76
Rot. Bonds4

About 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole

3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 12581135) has the molecular formula C22H20N2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID12581135
Molecular FormulaC22H20N2S
Molecular Weight344.48 g/mol
Exact Mass344.13
IUPAC Name3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCSc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2S/c1-25-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23-24(22)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3
InChIKeyXFPPGPIVOGTDAC-UHFFFAOYSA-N
XLogP5.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 12581135) is 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole is CSc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is XFPPGPIVOGTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2S/c1-25-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23-24(22)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 344.48 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 12581135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).