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

C16H12F3N3O2S — CID 18624104

IUPAC2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C16H12F3N3O2S/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
InChIKeyAYHUIJHSLYVUDV-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.41
Rot. Bonds4

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

2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 18624104) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID18624104
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C16H12F3N3O2S/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
InChIKeyAYHUIJHSLYVUDV-UHFFFAOYSA-N
XLogP3.41
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 18624104) is 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is AYHUIJHSLYVUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/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-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 367.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 18624104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).