1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole

C24H26N8O2 — CID 101460525

About 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole

1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole (PubChem CID 101460525) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole.

Molecular Properties

• Compound Name: 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
• PubChem CID: 101460525
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
• SMILES: c1ccc(COCC(n2cccn2)n2cccn2)c(COCC(n2cccn2)n2cccn2)c1
• InChI: InChI=1S/C24H26N8O2/c1-2-8-22(18-34-20-24(31-15-5-11-27-31)32-16-6-12-28-32)21(7-1)17-33-19-23(29-13-3-9-25-29)30-14-4-10-26-30/h1-16,23-24H,17-20H2
• InChIKey: AMGQDJYSZLQNFM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?

The IUPAC name of 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole (CID 101460525) is 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole.

What is the SMILES notation for 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?

The canonical SMILES for 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole is c1ccc(COCC(n2cccn2)n2cccn2)c(COCC(n2cccn2)n2cccn2)c1.

What is the InChIKey of 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?

The InChIKey is AMGQDJYSZLQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-2-8-22(18-34-20-24(31-15-5-11-27-31)32-16-6-12-28-32)21(7-1)17-33-19-23(29-13-3-9-25-29)30-14-4-10-26-30/h1-16,23-24H,17-20H2.

What are the key properties of 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole?

1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole has a molecular weight of 458.53 g/mol, XLogP of 3.00, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole is sourced from PubChem (CID 101460525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).