4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole

C6H7ClF2N2S — CID 59069002

IUPAC4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(SC(F)F)c1Cl
InChIInChI=1S/C6H7ClF2N2S/c1-3-4(7)5(11(2)10-3)12-6(8)9/h6H,1-2H3
InChIKeyCSLOBBTZVBGKAF-UHFFFAOYSA-N
MW212.65 g/mol
LogP2.70
Rot. Bonds2

About 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole

4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole (PubChem CID 59069002) has the molecular formula C6H7ClF2N2S and a molecular weight of 212.65 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole
PubChem CID59069002
Molecular FormulaC6H7ClF2N2S
Molecular Weight212.65 g/mol
Exact Mass212.00
IUPAC Name4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(SC(F)F)c1Cl
InChIInChI=1S/C6H7ClF2N2S/c1-3-4(7)5(11(2)10-3)12-6(8)9/h6H,1-2H3
InChIKeyCSLOBBTZVBGKAF-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole 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 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole (CID 59069002) is 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole is Cc1nn(C)c(SC(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole?
The InChIKey is CSLOBBTZVBGKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2S/c1-3-4(7)5(11(2)10-3)12-6(8)9/h6H,1-2H3.
What are the key properties of 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole?
4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole has a molecular weight of 212.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethylsulfanyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 59069002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).