N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C21H19Cl2N3O3 — CID 24555905

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 24555905) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
• PubChem CID: 24555905
• Molecular Formula: C21H19Cl2N3O3
• Molecular Weight: 432.31 g/mol
• Exact Mass: 431.08
• IUPAC Name: N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
• SMILES: O=C(CCc1ccc2c(c1)OCCO2)Nc1ccnn1Cc1cccc(Cl)c1Cl
• InChI: InChI=1S/C21H19Cl2N3O3/c22-16-3-1-2-15(21(16)23)13-26-19(8-9-24-26)25-20(27)7-5-14-4-6-17-18(12-14)29-11-10-28-17/h1-4,6,8-9,12H,5,7,10-11,13H2,(H,25,27)
• InChIKey: ACPJRTRBPBKPBB-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.31
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?

The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 24555905) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?

The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is O=C(CCc1ccc2c(c1)OCCO2)Nc1ccnn1Cc1cccc(Cl)c1Cl.

What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?

The InChIKey is ACPJRTRBPBKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c22-16-3-1-2-15(21(16)23)13-26-19(8-9-24-26)25-20(27)7-5-14-4-6-17-18(12-14)29-11-10-28-17/h1-4,6,8-9,12H,5,7,10-11,13H2,(H,25,27).

What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 432.31 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 24555905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).