3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H20ClN3O3S — CID 108780248

IUPAC3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C20H20ClN3O3S/c1-13-3-8-18(27-2)19(11-13)28(25,26)24-10-9-17-16(12-24)20(23-22-17)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBQUMOCNALAEVAS-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.79
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 108780248) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID108780248
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C20H20ClN3O3S/c1-13-3-8-18(27-2)19(11-13)28(25,26)24-10-9-17-16(12-24)20(23-22-17)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBQUMOCNALAEVAS-UHFFFAOYSA-N
XLogP3.79
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

5-[5-(5-ethyl-2-methoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-fluoroaniline
CID 171674028
7-chloro-2-(2-methoxy-5-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089861
3-(3-chlorophenyl)-5-(2,4-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780218
3-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780222
3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780212
3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 108780466
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110726130

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 108780248) is 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(C)cc1S(=O)(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is BQUMOCNALAEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-13-3-8-18(27-2)19(11-13)28(25,26)24-10-9-17-16(12-24)20(23-22-17)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 417.92 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 108780248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).