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

C13H15N3O2S — CID 53185479

IUPAC5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C13H15N3O2S/c1-19(17,18)16-8-7-12-11(9-16)13(15-14-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)
InChIKeyOOGFBJHLDJKOCM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.39
Rot. Bonds2

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

5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185479) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185479
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C13H15N3O2S/c1-19(17,18)16-8-7-12-11(9-16)13(15-14-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)
InChIKeyOOGFBJHLDJKOCM-UHFFFAOYSA-N
XLogP1.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185479) is 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is OOGFBJHLDJKOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19(17,18)16-8-7-12-11(9-16)13(15-14-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15).
What are the key properties of 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 277.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).