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

C24H25N5O3 — CID 91892927

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

3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (PubChem CID 91892927) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
• PubChem CID: 91892927
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
• SMILES: COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)c1
• InChI: InChI=1S/C24H25N5O3/c1-27(2)19-8-4-7-18(14-19)23(30)25-10-11-28-12-13-29-22(24(28)31)16-21(26-29)17-6-5-9-20(15-17)32-3/h4-9,12-16H,10-11H2,1-3H3,(H,25,30)
• InChIKey: ASWLYISVCBQOAG-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide (CID 91892927) is 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide.

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

The canonical SMILES for 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)c1.

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

The InChIKey is ASWLYISVCBQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-27(2)19-8-4-7-18(14-19)23(30)25-10-11-28-12-13-29-22(24(28)31)16-21(26-29)17-6-5-9-20(15-17)32-3/h4-9,12-16H,10-11H2,1-3H3,(H,25,30).

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

3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide is sourced from PubChem (CID 91892927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).