5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H19N3O2S — CID 53185523

IUPAC5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C15H19N3O2S/c1-3-21(19,20)18-9-8-14-13(10-18)15(17-16-14)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyHRTNESQQZBAULG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.09
Rot. Bonds3

About 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185523) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185523
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C15H19N3O2S/c1-3-21(19,20)18-9-8-14-13(10-18)15(17-16-14)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyHRTNESQQZBAULG-UHFFFAOYSA-N
XLogP2.09
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185523) is 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1.
What is the InChIKey of 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is HRTNESQQZBAULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-21(19,20)18-9-8-14-13(10-18)15(17-16-14)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 305.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).