2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide

C32H33F5N4O2 — CID 71204535

About 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide

2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 71204535) has the molecular formula C32H33F5N4O2 and a molecular weight of 600.63 g/mol. Its IUPAC name is 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 71204535
• Molecular Formula: C32H33F5N4O2
• Molecular Weight: 600.63 g/mol
• Exact Mass: 600.25
• IUPAC Name: 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide
• SMILES: CCc1c(C(F)(F)F)nn(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(OC(C)C)cc2)c1CC
• InChI: InChI=1S/C32H33F5N4O2/c1-5-25-28(6-2)41(40-31(25)32(35,36)37)18-29(42)39-27(16-20-14-22(33)17-23(34)15-20)30-26(8-7-13-38-30)21-9-11-24(12-10-21)43-19(3)4/h7-15,17,19,27H,5-6,16,18H2,1-4H3,(H,39,42)/t27-/m0/s1
• InChIKey: RBLXSCHXFAFEGG-MHZLTWQESA-N
• XLogP: 7.25
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.63
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide (CID 71204535) is 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide is CCc1c(C(F)(F)F)nn(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(OC(C)C)cc2)c1CC.

What is the InChIKey of 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is RBLXSCHXFAFEGG-MHZLTWQESA-N. The full InChI is InChI=1S/C32H33F5N4O2/c1-5-25-28(6-2)41(40-31(25)32(35,36)37)18-29(42)39-27(16-20-14-22(33)17-23(34)15-20)30-26(8-7-13-38-30)21-9-11-24(12-10-21)43-19(3)4/h7-15,17,19,27H,5-6,16,18H2,1-4H3,(H,39,42)/t27-/m0/s1.

What are the key properties of 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide?

2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 600.63 g/mol, XLogP of 7.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-diethyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 71204535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).