2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine

C15H13FN4S — CID 154883813

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine
SMILESCc1cc(C)n(-c2nccnc2Sc2ccccc2F)n1
InChIInChI=1S/C15H13FN4S/c1-10-9-11(2)20(19-10)14-15(18-8-7-17-14)21-13-6-4-3-5-12(13)16/h3-9H,1-2H3
InChIKeyZUTXIUMFDZKMIM-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.57
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine

2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine (PubChem CID 154883813) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine
PubChem CID154883813
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine
SMILESCc1cc(C)n(-c2nccnc2Sc2ccccc2F)n1
InChIInChI=1S/C15H13FN4S/c1-10-9-11(2)20(19-10)14-15(18-8-7-17-14)21-13-6-4-3-5-12(13)16/h3-9H,1-2H3
InChIKeyZUTXIUMFDZKMIM-UHFFFAOYSA-N
XLogP3.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine 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-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine (CID 154883813) is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine is Cc1cc(C)n(-c2nccnc2Sc2ccccc2F)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine?
The InChIKey is ZUTXIUMFDZKMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c1-10-9-11(2)20(19-10)14-15(18-8-7-17-14)21-13-6-4-3-5-12(13)16/h3-9H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine?
2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine has a molecular weight of 300.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-fluorophenyl)sulfanylpyrazine is sourced from PubChem (CID 154883813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).