3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H19N7 — CID 56750854

About 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 56750854) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
• PubChem CID: 56750854
• Molecular Formula: C19H19N7
• Molecular Weight: 345.41 g/mol
• Exact Mass: 345.17
• IUPAC Name: 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
• SMILES: c1ccc2c(-c3n[nH]c4c3CN(CCc3nn[nH]n3)CC4)cccc2c1
• InChI: InChI=1S/C19H19N7/c1-2-6-14-13(4-1)5-3-7-15(14)19-16-12-26(10-8-17(16)20-23-19)11-9-18-21-24-25-22-18/h1-7H,8-12H2,(H,20,23)(H,21,22,24,25)
• InChIKey: KDWHHLCRGVVHKW-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.41
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 56750854) is 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

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

The canonical SMILES for 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1ccc2c(-c3n[nH]c4c3CN(CCc3nn[nH]n3)CC4)cccc2c1.

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

The InChIKey is KDWHHLCRGVVHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-2-6-14-13(4-1)5-3-7-15(14)19-16-12-26(10-8-17(16)20-23-19)11-9-18-21-24-25-22-18/h1-7H,8-12H2,(H,20,23)(H,21,22,24,25).

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

3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 345.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-5-[2-(2H-tetrazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56750854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).