[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium

C24H30N5O2+ — CID 8553092

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium (PubChem CID 8553092) has the molecular formula C24H30N5O2+ and a molecular weight of 420.54 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium
• PubChem CID: 8553092
• Molecular Formula: C24H30N5O2+
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.24
• IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium
• SMILES: Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1
• InChI: InChI=1S/C24H29N5O2/c1-16-9-11-20(12-10-16)29-22(13-18(3)27-29)26-24(31)15-28(5)14-23(30)25-21-8-6-7-17(2)19(21)4/h6-13H,14-15H2,1-5H3,(H,25,30)(H,26,31)/p+1
• InChIKey: DPCRHUBZFUERHR-UHFFFAOYSA-O
• XLogP: 2.20
• TPSA: 80.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium?

The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium (CID 8553092) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium.

What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium?

The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium is Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1.

What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium?

The InChIKey is DPCRHUBZFUERHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N5O2/c1-16-9-11-20(12-10-16)29-22(13-18(3)27-29)26-24(31)15-28(5)14-23(30)25-21-8-6-7-17(2)19(21)4/h6-13H,14-15H2,1-5H3,(H,25,30)(H,26,31)/p+1.

What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium?

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium has a molecular weight of 420.54 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8553092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).