1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone

C23H29N3O3 — CID 42844644

About 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 42844644) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
• PubChem CID: 42844644
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
• SMILES: COc1ccc(C2=NN(C(=O)CN(C)C(C)C)C(c3ccccc3)C2)c(OC)c1
• InChI: InChI=1S/C23H29N3O3/c1-16(2)25(3)15-23(27)26-21(17-9-7-6-8-10-17)14-20(24-26)19-12-11-18(28-4)13-22(19)29-5/h6-13,16,21H,14-15H2,1-5H3
• InChIKey: JACMXJXMPAMGDE-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 54.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The IUPAC name of 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 42844644) is 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone.

What is the SMILES notation for 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The canonical SMILES for 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone is COc1ccc(C2=NN(C(=O)CN(C)C(C)C)C(c3ccccc3)C2)c(OC)c1.

What is the InChIKey of 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone?

The InChIKey is JACMXJXMPAMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)25(3)15-23(27)26-21(17-9-7-6-8-10-17)14-20(24-26)19-12-11-18(28-4)13-22(19)29-5/h6-13,16,21H,14-15H2,1-5H3.

What are the key properties of 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone?

1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 395.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 42844644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).