4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine

C16H13F2N3O2S — CID 71981157

IUPAC4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine
SMILESO=S(=O)(c1ccc(Cn2nccc2-c2ccncc2)cc1)C(F)F
InChIInChI=1S/C16H13F2N3O2S/c17-16(18)24(22,23)14-3-1-12(2-4-14)11-21-15(7-10-20-21)13-5-8-19-9-6-13/h1-10,16H,11H2
InChIKeySKHHNGUDDRBROM-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.99
Rot. Bonds5

About 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine

4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine (PubChem CID 71981157) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine
PubChem CID71981157
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine
SMILESO=S(=O)(c1ccc(Cn2nccc2-c2ccncc2)cc1)C(F)F
InChIInChI=1S/C16H13F2N3O2S/c17-16(18)24(22,23)14-3-1-12(2-4-14)11-21-15(7-10-20-21)13-5-8-19-9-6-13/h1-10,16H,11H2
InChIKeySKHHNGUDDRBROM-UHFFFAOYSA-N
XLogP2.99
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine (CID 71981157) is 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine is O=S(=O)(c1ccc(Cn2nccc2-c2ccncc2)cc1)C(F)F.
What is the InChIKey of 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine?
The InChIKey is SKHHNGUDDRBROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-16(18)24(22,23)14-3-1-12(2-4-14)11-21-15(7-10-20-21)13-5-8-19-9-6-13/h1-10,16H,11H2.
What are the key properties of 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine?
4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine has a molecular weight of 349.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 71981157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).