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

C17H15F2N3O2S — CID 10270065

IUPAC2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-11-3-5-12(6-4-11)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)25(2,23)24/h3-10,17H,1-2H3
InChIKeyJSZHWOWPVKVBDD-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.58
Rot. Bonds4

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

2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 10270065) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID10270065
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-11-3-5-12(6-4-11)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)25(2,23)24/h3-10,17H,1-2H3
InChIKeyJSZHWOWPVKVBDD-UHFFFAOYSA-N
XLogP3.58
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.58
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-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 10270065) is 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine is Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is JSZHWOWPVKVBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-11-3-5-12(6-4-11)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)25(2,23)24/h3-10,17H,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 363.39 g/mol, XLogP of 3.58, 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-methylphenyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 10270065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).