5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C14H19N3O3S — CID 31016710

IUPAC5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCCS(=O)(=O)N1CCc2[nH]nc(-c3ccco3)c2C1
InChIInChI=1S/C14H19N3O3S/c1-2-3-9-21(18,19)17-7-6-12-11(10-17)14(16-15-12)13-5-4-8-20-13/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,16)
InChIKeyCGFPTZFLBHXWRY-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.16
Rot. Bonds5

About 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31016710) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31016710
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCCS(=O)(=O)N1CCc2[nH]nc(-c3ccco3)c2C1
InChIInChI=1S/C14H19N3O3S/c1-2-3-9-21(18,19)17-7-6-12-11(10-17)14(16-15-12)13-5-4-8-20-13/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,16)
InChIKeyCGFPTZFLBHXWRY-UHFFFAOYSA-N
XLogP2.16
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 31016710) is 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCCS(=O)(=O)N1CCc2[nH]nc(-c3ccco3)c2C1.
What is the InChIKey of 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CGFPTZFLBHXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-3-9-21(18,19)17-7-6-12-11(10-17)14(16-15-12)13-5-4-8-20-13/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 309.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfonyl-3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31016710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).