2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione

C10H6Cl2F2N2S — CID 62892606

IUPAC2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
SMILESFC(F)c1cc(=S)n(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C10H6Cl2F2N2S/c11-5-1-2-8(6(12)3-5)16-9(17)4-7(15-16)10(13)14/h1-4,10,15H
InChIKeyJFJOLBYKRGHPGF-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.78
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione

2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione (PubChem CID 62892606) has the molecular formula C10H6Cl2F2N2S and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
PubChem CID62892606
Molecular FormulaC10H6Cl2F2N2S
Molecular Weight295.14 g/mol
Exact Mass293.96
IUPAC Name2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
SMILESFC(F)c1cc(=S)n(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C10H6Cl2F2N2S/c11-5-1-2-8(6(12)3-5)16-9(17)4-7(15-16)10(13)14/h1-4,10,15H
InChIKeyJFJOLBYKRGHPGF-UHFFFAOYSA-N
XLogP4.78
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione 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 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione (CID 62892606) is 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione is FC(F)c1cc(=S)n(-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
The InChIKey is JFJOLBYKRGHPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N2S/c11-5-1-2-8(6(12)3-5)16-9(17)4-7(15-16)10(13)14/h1-4,10,15H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione?
2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione has a molecular weight of 295.14 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione is sourced from PubChem (CID 62892606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).