1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C13H7F4N3O2S — CID 2738262

IUPAC1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)n1nc(C(F)(F)F)c2cnccc21
InChIInChI=1S/C13H7F4N3O2S/c14-8-1-3-9(4-2-8)23(21,22)20-11-5-6-18-7-10(11)12(19-20)13(15,16)17/h1-7H
InChIKeyZYHASCFYYNKFHY-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 2738262) has the molecular formula C13H7F4N3O2S and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID2738262
Molecular FormulaC13H7F4N3O2S
Molecular Weight345.28 g/mol
Exact Mass345.02
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)n1nc(C(F)(F)F)c2cnccc21
InChIInChI=1S/C13H7F4N3O2S/c14-8-1-3-9(4-2-8)23(21,22)20-11-5-6-18-7-10(11)12(19-20)13(15,16)17/h1-7H
InChIKeyZYHASCFYYNKFHY-UHFFFAOYSA-N
XLogP2.83
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 2738262) is 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is O=S(=O)(c1ccc(F)cc1)n1nc(C(F)(F)F)c2cnccc21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is ZYHASCFYYNKFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3O2S/c14-8-1-3-9(4-2-8)23(21,22)20-11-5-6-18-7-10(11)12(19-20)13(15,16)17/h1-7H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 345.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 2738262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).