N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C25H22F3N5O2 — CID 122310598

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 122310598) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 122310598
• Molecular Formula: C25H22F3N5O2
• Molecular Weight: 481.48 g/mol
• Exact Mass: 481.17
• IUPAC Name: N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)nc(C)n2)n1
• InChI: InChI=1S/C25H22F3N5O2/c1-15-12-16(2)33(32-15)22-14-24(30-17(3)29-22)35-21-10-8-20(9-11-21)31-23(34)13-18-4-6-19(7-5-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,31,34)
• InChIKey: GBYAHHZMTMTMLT-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.48
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 122310598) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)nc(C)n2)n1.

What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

The InChIKey is GBYAHHZMTMTMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-15-12-16(2)33(32-15)22-14-24(30-17(3)29-22)35-21-10-8-20(9-11-21)31-23(34)13-18-4-6-19(7-5-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,31,34).

What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 481.48 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122310598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).