[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone

C20H20N4O3 — CID 122249650

About [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 122249650) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
• PubChem CID: 122249650
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
• SMILES: COc1ccccc1-c1cc(C(=O)N2CC(Oc3cccc(C)n3)C2)[nH]n1
• InChI: InChI=1S/C20H20N4O3/c1-13-6-5-9-19(21-13)27-14-11-24(12-14)20(25)17-10-16(22-23-17)15-7-3-4-8-18(15)26-2/h3-10,14H,11-12H2,1-2H3,(H,22,23)
• InChIKey: YCVFALPHXGUFKF-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?

The IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 122249650) is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone.

What is the SMILES notation for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?

The canonical SMILES for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CC(Oc3cccc(C)n3)C2)[nH]n1.

What is the InChIKey of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?

The InChIKey is YCVFALPHXGUFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-6-5-9-19(21-13)27-14-11-24(12-14)20(25)17-10-16(22-23-17)15-7-3-4-8-18(15)26-2/h3-10,14H,11-12H2,1-2H3,(H,22,23).

What are the key properties of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122249650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).