N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C23H20N4O5 — CID 91892700

About N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 91892700) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 91892700
• Molecular Formula: C23H20N4O5
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.14
• IUPAC Name: N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
• SMILES: COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1
• InChI: InChI=1S/C23H20N4O5/c1-30-17-5-2-15(3-6-17)18-13-19-23(29)26(10-11-27(19)25-18)9-8-24-22(28)16-4-7-20-21(12-16)32-14-31-20/h2-7,10-13H,8-9,14H2,1H3,(H,24,28)
• InChIKey: QVAODJMTHNFHSC-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 96.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 91892700) is N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1.

What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is QVAODJMTHNFHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-30-17-5-2-15(3-6-17)18-13-19-23(29)26(10-11-27(19)25-18)9-8-24-22(28)16-4-7-20-21(12-16)32-14-31-20/h2-7,10-13H,8-9,14H2,1H3,(H,24,28).

What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?

N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 91892700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).