2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

C25H26F4N4O2 — CID 59385481

About 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 59385481) has the molecular formula C25H26F4N4O2 and a molecular weight of 490.50 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• PubChem CID: 59385481
• Molecular Formula: C25H26F4N4O2
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.20
• IUPAC Name: 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• SMILES: C[C@H](NC(=O)C(C)(C)c1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)[nH]n1
• InChI: InChI=1S/C25H26F4N4O2/c1-13(30-23(35)25(4,5)15-8-18(28)11-19(29)9-15)22(34)31-21-12-20(32-33-21)24(2,3)14-6-16(26)10-17(27)7-14/h6-13H,1-5H3,(H,30,35)(H2,31,32,33,34)/t13-/m0/s1
• InChIKey: DNEWCNGJMJILQU-ZDUSSCGKSA-N
• XLogP: 4.71
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (CID 59385481) is 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is C[C@H](NC(=O)C(C)(C)c1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)[nH]n1.

What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The InChIKey is DNEWCNGJMJILQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H26F4N4O2/c1-13(30-23(35)25(4,5)15-8-18(28)11-19(29)9-15)22(34)31-21-12-20(32-33-21)24(2,3)14-6-16(26)10-17(27)7-14/h6-13H,1-5H3,(H,30,35)(H2,31,32,33,34)/t13-/m0/s1.

What are the key properties of 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 490.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-difluorophenyl)-N-[(2S)-1-[[5-[2-(3,5-difluorophenyl)propan-2-yl]-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59385481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).