5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole

C15H10Cl2N2S — CID 2745118

IUPAC5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole
SMILESClc1ccc(Sc2cn[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H10Cl2N2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)20-13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyWUJSIYZKNJOYQA-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.53
Rot. Bonds3

About 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole

5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole (PubChem CID 2745118) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole
PubChem CID2745118
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole
SMILESClc1ccc(Sc2cn[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H10Cl2N2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)20-13-7-5-12(17)6-8-13/h1-9H,(H,18,19)
InChIKeyWUJSIYZKNJOYQA-UHFFFAOYSA-N
XLogP5.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-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 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole (CID 2745118) is 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole is Clc1ccc(Sc2cn[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole?
The InChIKey is WUJSIYZKNJOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-11-3-1-10(2-4-11)15-14(9-18-19-15)20-13-7-5-12(17)6-8-13/h1-9H,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole?
5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole has a molecular weight of 321.23 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1H-pyrazole is sourced from PubChem (CID 2745118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).