2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide

C18H20F3N3O3 — CID 90615534

About 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide

2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide (PubChem CID 90615534) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
• PubChem CID: 90615534
• Molecular Formula: C18H20F3N3O3
• Molecular Weight: 383.37 g/mol
• Exact Mass: 383.15
• IUPAC Name: 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
• SMILES: Cc1ccc(OCC(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1
• InChI: InChI=1S/C18H20F3N3O3/c1-12-2-4-13(5-3-12)27-11-16(25)22-7-8-24-15-6-9-26-10-14(15)17(23-24)18(19,20)21/h2-5H,6-11H2,1H3,(H,22,25)
• InChIKey: KKZSVYFQVRDEAL-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.37
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?

The IUPAC name of 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide (CID 90615534) is 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?

The canonical SMILES for 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide is Cc1ccc(OCC(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1.

What is the InChIKey of 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?

The InChIKey is KKZSVYFQVRDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-12-2-4-13(5-3-12)27-11-16(25)22-7-8-24-15-6-9-26-10-14(15)17(23-24)18(19,20)21/h2-5H,6-11H2,1H3,(H,22,25).

What are the key properties of 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?

2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 90615534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).