3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine

C₂₂H₂₆FN₅O — CID 92621480

About 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine

3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 92621480) has the molecular formula C₂₂H₂₆FN₅O and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
• PubChem CID: 92621480
• Molecular Formula: C₂₂H₂₆FN₅O
• Molecular Weight: 395.48 g/mol
• Exact Mass: 395.21
• IUPAC Name: 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
• SMILES: CNc1ncccc1CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1
• InChI: InChI=1S/C22H26FN5O/c1-24-22-16(6-4-11-25-22)15-28-12-5-8-20(28)19-14-17(26-27-19)10-13-29-21-9-3-2-7-18(21)23/h2-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,1H3,(H,24,25)(H,26,27)/t20-/m1/s1
• InChIKey: WNRAHFANEZEJQO-HXUWFJFHSA-N
• XLogP: 3.94
• TPSA: 66.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.48
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?

The IUPAC name of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 92621480) is 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine.

What is the SMILES notation for 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?

The canonical SMILES for 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1.

What is the InChIKey of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?

The InChIKey is WNRAHFANEZEJQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-24-22-16(6-4-11-25-22)15-28-12-5-8-20(28)19-14-17(26-27-19)10-13-29-21-9-3-2-7-18(21)23/h2-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,1H3,(H,24,25)(H,26,27)/t20-/m1/s1.

What are the key properties of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?

3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 395.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 92621480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 92621480 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.