2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C21H20F3N7O — CID 16615026

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 16615026) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
• PubChem CID: 16615026
• Molecular Formula: C21H20F3N7O
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.17
• IUPAC Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
• SMILES: Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCc1cnn(-c2ccccc2)c1
• InChI: InChI=1S/C21H20F3N7O/c1-13-17(14(2)31-20(27-13)28-19(29-31)21(22,23)24)10-18(32)25-9-8-15-11-26-30(12-15)16-6-4-3-5-7-16/h3-7,11-12H,8-10H2,1-2H3,(H,25,32)
• InChIKey: PEQLYKGRYQWGRN-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?

The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 16615026) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?

The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCc1cnn(-c2ccccc2)c1.

What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?

The InChIKey is PEQLYKGRYQWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-13-17(14(2)31-20(27-13)28-19(29-31)21(22,23)24)10-18(32)25-9-8-15-11-26-30(12-15)16-6-4-3-5-7-16/h3-7,11-12H,8-10H2,1-2H3,(H,25,32).

What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 16615026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).