2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide

C20H20N4O4 — CID 7283899

About 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide

2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide (PubChem CID 7283899) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide
• PubChem CID: 7283899
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide
• SMILES: Cc1c(NC(=O)COc2ccccc2C(N)=O)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C20H20N4O4/c1-13-18(20(27)24(23(13)2)14-8-4-3-5-9-14)22-17(25)12-28-16-11-7-6-10-15(16)19(21)26/h3-11H,12H2,1-2H3,(H2,21,26)(H,22,25)
• InChIKey: CGNXTEKVFXCJPX-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 108.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide?

The IUPAC name of 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide (CID 7283899) is 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide.

What is the SMILES notation for 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide?

The canonical SMILES for 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide is Cc1c(NC(=O)COc2ccccc2C(N)=O)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide?

The InChIKey is CGNXTEKVFXCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-18(20(27)24(23(13)2)14-8-4-3-5-9-14)22-17(25)12-28-16-11-7-6-10-15(16)19(21)26/h3-11H,12H2,1-2H3,(H2,21,26)(H,22,25).

What are the key properties of 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide?

2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7283899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).