5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C12H12FN3O2S — CID 141153499

IUPAC5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C12H12FN3O2S/c13-10-1-3-11(4-2-10)19(17,18)16-6-5-12-9(8-16)7-14-15-12/h1-4,7H,5-6,8H2,(H,14,15)
InChIKeyKVTAXCOKXCWJHW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds2

About 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 141153499) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID141153499
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C12H12FN3O2S/c13-10-1-3-11(4-2-10)19(17,18)16-6-5-12-9(8-16)7-14-15-12/h1-4,7H,5-6,8H2,(H,14,15)
InChIKeyKVTAXCOKXCWJHW-UHFFFAOYSA-N
XLogP1.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 141153499) is 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(F)cc1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is KVTAXCOKXCWJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-10-1-3-11(4-2-10)19(17,18)16-6-5-12-9(8-16)7-14-15-12/h1-4,7H,5-6,8H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 281.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 141153499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).