5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole

C12H12Cl2N2S — CID 163840783

IUPAC5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(Sc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C12H12Cl2N2S/c1-7-8(2)15-16(3)12(7)17-11-5-4-9(13)6-10(11)14/h4-6H,1-3H3
InChIKeyOLUGMQXWPSDRHL-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.49
Rot. Bonds2

About 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole

5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole (PubChem CID 163840783) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole
PubChem CID163840783
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(Sc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C12H12Cl2N2S/c1-7-8(2)15-16(3)12(7)17-11-5-4-9(13)6-10(11)14/h4-6H,1-3H3
InChIKeyOLUGMQXWPSDRHL-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole 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-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole (CID 163840783) is 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole is Cc1nn(C)c(Sc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole?
The InChIKey is OLUGMQXWPSDRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7-8(2)15-16(3)12(7)17-11-5-4-9(13)6-10(11)14/h4-6H,1-3H3.
What are the key properties of 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole?
5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole has a molecular weight of 287.22 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)sulfanyl-1,3,4-trimethylpyrazole is sourced from PubChem (CID 163840783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).