N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C25H29N3O4 — CID 46286320

About N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 46286320) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
• PubChem CID: 46286320
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
• SMILES: COc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)CCn2nc(C)cc2C)cc1
• InChI: InChI=1S/C25H29N3O4/c1-17-12-18(2)28(27-17)11-10-25(29)26-21(13-19-4-7-22(30-3)8-5-19)14-20-6-9-23-24(15-20)32-16-31-23/h4-9,12,15,21H,10-11,13-14,16H2,1-3H3,(H,26,29)
• InChIKey: DVHPNONWPLKNIC-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 46286320) is N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is COc1ccc(CC(Cc2ccc3c(c2)OCO3)NC(=O)CCn2nc(C)cc2C)cc1.

What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

The InChIKey is DVHPNONWPLKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17-12-18(2)28(27-17)11-10-25(29)26-21(13-19-4-7-22(30-3)8-5-19)14-20-6-9-23-24(15-20)32-16-31-23/h4-9,12,15,21H,10-11,13-14,16H2,1-3H3,(H,26,29).

What are the key properties of N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 435.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46286320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).