N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H17F6N3O — CID 52573052

About N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 52573052) has the molecular formula C18H17F6N3O and a molecular weight of 405.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 52573052
• Molecular Formula: C18H17F6N3O
• Molecular Weight: 405.34 g/mol
• Exact Mass: 405.13
• IUPAC Name: N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1
• InChI: InChI=1S/C18H17F6N3O/c1-11(12-3-2-4-13(9-12)17(19,20)21)27(14-5-6-14)16(28)10-26-8-7-15(25-26)18(22,23)24/h2-4,7-9,11,14H,5-6,10H2,1H3/t11-/m1/s1
• InChIKey: YJEVLILKIGYBLX-LLVKDONJSA-N
• XLogP: 4.67
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.34
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The IUPAC name of N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 52573052) is N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1.

What is the InChIKey of N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The InChIKey is YJEVLILKIGYBLX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F6N3O/c1-11(12-3-2-4-13(9-12)17(19,20)21)27(14-5-6-14)16(28)10-26-8-7-15(25-26)18(22,23)24/h2-4,7-9,11,14H,5-6,10H2,1H3/t11-/m1/s1.

What are the key properties of N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 405.34 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 52573052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).