2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

C16H12BrF2N3O2S — CID 10224435

IUPAC2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)cc2)nc1
InChIInChI=1S/C16H12BrF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
InChIKeyAJIRASBZKXSTKY-UHFFFAOYSA-N
MW428.26 g/mol
LogP4.04
Rot. Bonds4

About 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 10224435) has the molecular formula C16H12BrF2N3O2S and a molecular weight of 428.26 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID10224435
Molecular FormulaC16H12BrF2N3O2S
Molecular Weight428.26 g/mol
Exact Mass426.98
IUPAC Name2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)cc2)nc1
InChIInChI=1S/C16H12BrF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
InChIKeyAJIRASBZKXSTKY-UHFFFAOYSA-N
XLogP4.04
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine 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-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 10224435) is 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is AJIRASBZKXSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3.
What are the key properties of 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 428.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-3-(difluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 10224435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).