3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H19N3O2S — CID 53185478

IUPAC3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C15H19N3O2S/c1-2-10-21(19,20)18-9-8-14-13(11-18)15(17-16-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17)
InChIKeyRIBZHACHWISWMI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.17
Rot. Bonds4

About 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185478) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185478
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C15H19N3O2S/c1-2-10-21(19,20)18-9-8-14-13(11-18)15(17-16-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17)
InChIKeyRIBZHACHWISWMI-UHFFFAOYSA-N
XLogP2.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185478) is 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RIBZHACHWISWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-10-21(19,20)18-9-8-14-13(11-18)15(17-16-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17).
What are the key properties of 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 305.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).