methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C23H20ClN3O3 — CID 66495934

About methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495934) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 66495934
• Molecular Formula: C23H20ClN3O3
• Molecular Weight: 421.88 g/mol
• Exact Mass: 421.12
• IUPAC Name: methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(C(C)c2ccc(Cl)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2
• InChI: InChI=1S/C23H20ClN3O3/c1-14-5-4-6-18(11-14)27-22(28)19-12-26(13-20(21(19)25-27)23(29)30-3)15(2)16-7-9-17(24)10-8-16/h4-13,15H,1-3H3
• InChIKey: LMTMITYFJLGPGC-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 66.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.88
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495934) is methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C(C)c2ccc(Cl)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2.

What is the InChIKey of methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is LMTMITYFJLGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-14-5-4-6-18(11-14)27-22(28)19-12-26(13-20(21(19)25-27)23(29)30-3)15(2)16-7-9-17(24)10-8-16/h4-13,15H,1-3H3.

What are the key properties of methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 421.88 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[1-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).