N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide

C20H22N4O — CID 56753668

About N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide

N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide (PubChem CID 56753668) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide
• PubChem CID: 56753668
• Molecular Formula: C20H22N4O
• Molecular Weight: 334.42 g/mol
• Exact Mass: 334.18
• IUPAC Name: N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide
• SMILES: CC(=O)NCCN1CCc2[nH]nc(-c3cccc4ccccc34)c2C1
• InChI: InChI=1S/C20H22N4O/c1-14(25)21-10-12-24-11-9-19-18(13-24)20(23-22-19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-13H2,1H3,(H,21,25)(H,22,23)
• InChIKey: BOLGUASUWFKNFP-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.42
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide (CID 56753668) is N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide.

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

The canonical SMILES for N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide is CC(=O)NCCN1CCc2[nH]nc(-c3cccc4ccccc34)c2C1.

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

The InChIKey is BOLGUASUWFKNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(25)21-10-12-24-11-9-19-18(13-24)20(23-22-19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-13H2,1H3,(H,21,25)(H,22,23).

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

N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethyl]acetamide is sourced from PubChem (CID 56753668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).