5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C24H29N3O3S — CID 53018467

About 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 53018467) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 53018467
• Molecular Formula: C24H29N3O3S
• Molecular Weight: 439.58 g/mol
• Exact Mass: 439.19
• IUPAC Name: 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1
• InChI: InChI=1S/C24H29N3O3S/c1-4-20-7-5-6-8-24(20)31(28,29)27-14-13-23-21(15-27)22(25-26(23)3)17-30-16-19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3
• InChIKey: UHDMNHRSFVQNNS-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.58
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 53018467) is 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1ccccc1S(=O)(=O)N1CCc2c(c(COCc3ccc(C)cc3)nn2C)C1.

What is the InChIKey of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is UHDMNHRSFVQNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-20-7-5-6-8-24(20)31(28,29)27-14-13-23-21(15-27)22(25-26(23)3)17-30-16-19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3.

What are the key properties of 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 439.58 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53018467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).