5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C22H24ClN3O3S — CID 50832650

About 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832650) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 50832650
• Molecular Formula: C22H24ClN3O3S
• Molecular Weight: 445.97 g/mol
• Exact Mass: 445.12
• IUPAC Name: 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1
• InChI: InChI=1S/C22H24ClN3O3S/c1-16-3-5-17(6-4-16)14-29-15-21-20-13-26(12-11-22(20)25(2)24-21)30(27,28)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3
• InChIKey: QDYZVXNLNDIWSS-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.97
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832650) is 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1.

What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is QDYZVXNLNDIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-16-3-5-17(6-4-16)14-29-15-21-20-13-26(12-11-22(20)25(2)24-21)30(27,28)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3.

What are the key properties of 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 445.97 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).