N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide

C23H20F2N4O3 — CID 91892722

About N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide (PubChem CID 91892722) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
• PubChem CID: 91892722
• Molecular Formula: C23H20F2N4O3
• Molecular Weight: 438.43 g/mol
• Exact Mass: 438.15
• IUPAC Name: N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
• SMILES: CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)ccc4F)ccn3n2)cc1
• InChI: InChI=1S/C23H20F2N4O3/c1-2-32-17-6-3-15(4-7-17)20-14-21-23(31)28(11-12-29(21)27-20)10-9-26-22(30)18-13-16(24)5-8-19(18)25/h3-8,11-14H,2,9-10H2,1H3,(H,26,30)
• InChIKey: QJJURQKZDBVBJE-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.43
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide?

The IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide (CID 91892722) is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide.

What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide?

The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide is CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(F)ccc4F)ccn3n2)cc1.

What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide?

The InChIKey is QJJURQKZDBVBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c1-2-32-17-6-3-15(4-7-17)20-14-21-23(31)28(11-12-29(21)27-20)10-9-26-22(30)18-13-16(24)5-8-19(18)25/h3-8,11-14H,2,9-10H2,1H3,(H,26,30).

What are the key properties of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide?

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide has a molecular weight of 438.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 91892722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).