3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C13H14ClN3O2S — CID 108780213

IUPAC3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C13H14ClN3O2S/c1-20(18,19)17-6-5-12-11(8-17)13(16-15-12)9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H,15,16)
InChIKeyAUUVGVNKWIVXRL-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.05
Rot. Bonds2

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

3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 108780213) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID108780213
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCS(=O)(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C13H14ClN3O2S/c1-20(18,19)17-6-5-12-11(8-17)13(16-15-12)9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H,15,16)
InChIKeyAUUVGVNKWIVXRL-UHFFFAOYSA-N
XLogP2.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 108780213) is 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CS(=O)(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1.
What is the InChIKey of 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is AUUVGVNKWIVXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-20(18,19)17-6-5-12-11(8-17)13(16-15-12)9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 311.79 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 108780213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).