1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone

C24H20ClN3O — CID 108726086

About 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone

1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone (PubChem CID 108726086) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

• Compound Name: 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone
• PubChem CID: 108726086
• Molecular Formula: C24H20ClN3O
• Molecular Weight: 401.90 g/mol
• Exact Mass: 401.13
• IUPAC Name: 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone
• SMILES: O=C(Cc1cccc2ccccc12)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
• InChI: InChI=1S/C24H20ClN3O/c25-19-10-8-17(9-11-19)24-21-15-28(13-12-22(21)26-27-24)23(29)14-18-6-3-5-16-4-1-2-7-20(16)18/h1-11H,12-15H2,(H,26,27)
• InChIKey: SCCCGEZBGRADNU-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.90
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone?

The IUPAC name of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone (CID 108726086) is 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone.

What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone?

The canonical SMILES for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.

What is the InChIKey of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone?

The InChIKey is SCCCGEZBGRADNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-19-10-8-17(9-11-19)24-21-15-28(13-12-22(21)26-27-24)23(29)14-18-6-3-5-16-4-1-2-7-20(16)18/h1-11H,12-15H2,(H,26,27).

What are the key properties of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone?

1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone has a molecular weight of 401.90 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 108726086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).