4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole

C11H11ClN2S — CID 723106

IUPAC4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c1-7-11(8(2)14-13-7)15-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyFABJXTYEJRKXNN-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.83
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole

4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole (PubChem CID 723106) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
PubChem CID723106
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c1-7-11(8(2)14-13-7)15-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14)
InChIKeyFABJXTYEJRKXNN-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-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 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole (CID 723106) is 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole?
The InChIKey is FABJXTYEJRKXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-11(8(2)14-13-7)15-10-5-3-9(12)4-6-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole?
4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole has a molecular weight of 238.74 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 723106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).