3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole

C17H16N2O2S2 — CID 67758071

IUPAC3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole
SMILESCSc1ccc(-c2ccn(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-22-15-7-3-13(4-8-15)17-11-12-19(18-17)14-5-9-16(10-6-14)23(2,20)21/h3-12H,1-2H3
InChIKeyDPGJWNDUMRIORD-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.66
Rot. Bonds4

About 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole

3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole (PubChem CID 67758071) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole
PubChem CID67758071
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole
SMILESCSc1ccc(-c2ccn(-c3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-22-15-7-3-13(4-8-15)17-11-12-19(18-17)14-5-9-16(10-6-14)23(2,20)21/h3-12H,1-2H3
InChIKeyDPGJWNDUMRIORD-UHFFFAOYSA-N
XLogP3.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole 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)-1-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole (CID 67758071) is 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole is CSc1ccc(-c2ccn(-c3ccc(S(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is DPGJWNDUMRIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-22-15-7-3-13(4-8-15)17-11-12-19(18-17)14-5-9-16(10-6-14)23(2,20)21/h3-12H,1-2H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole?
3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 344.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 67758071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).