N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C21H20N6O3 — CID 24589541

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 24589541) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
• PubChem CID: 24589541
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
• SMILES: Cc1c(NC(=O)CCn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C21H20N6O3/c1-14-19(21(30)27(25(14)2)15-8-4-3-5-9-15)22-18(28)12-13-26-20(29)16-10-6-7-11-17(16)23-24-26/h3-11H,12-13H2,1-2H3,(H,22,28)
• InChIKey: HQWBESANBPESGR-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 103.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 24589541) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is Cc1c(NC(=O)CCn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

The InChIKey is HQWBESANBPESGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-14-19(21(30)27(25(14)2)15-8-4-3-5-9-15)22-18(28)12-13-26-20(29)16-10-6-7-11-17(16)23-24-26/h3-11H,12-13H2,1-2H3,(H,22,28).

What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 404.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 24589541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).