N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide

C17H22N4O2S — CID 56897168

IUPACN-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C17H22N4O2S/c22-24(23,18-11-13-5-2-1-3-6-13)21-10-9-16-15(12-21)17(20-19-16)14-7-4-8-14/h1-3,5-6,14,18H,4,7-12H2,(H,19,20)
InChIKeyTTZBYSOUNJSZHG-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.07
Rot. Bonds5

About N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide

N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (PubChem CID 56897168) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
PubChem CID56897168
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C17H22N4O2S/c22-24(23,18-11-13-5-2-1-3-6-13)21-10-9-16-15(12-21)17(20-19-16)14-7-4-8-14/h1-3,5-6,14,18H,4,7-12H2,(H,19,20)
InChIKeyTTZBYSOUNJSZHG-UHFFFAOYSA-N
XLogP2.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The IUPAC name of N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (CID 56897168) is N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.
What is the SMILES notation for N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The canonical SMILES for N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is O=S(=O)(NCc1ccccc1)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The InChIKey is TTZBYSOUNJSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-24(23,18-11-13-5-2-1-3-6-13)21-10-9-16-15(12-21)17(20-19-16)14-7-4-8-14/h1-3,5-6,14,18H,4,7-12H2,(H,19,20).
What are the key properties of N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is sourced from PubChem (CID 56897168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).