1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

C15H19N3O3 — CID 110905460

About 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 110905460) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
• PubChem CID: 110905460
• Molecular Formula: C15H19N3O3
• Molecular Weight: 289.34 g/mol
• Exact Mass: 289.14
• IUPAC Name: 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
• SMILES: CC(O)CNCc1cn[nH]c1-c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C15H19N3O3/c1-10(19)7-16-8-12-9-17-18-15(12)11-2-3-13-14(6-11)21-5-4-20-13/h2-3,6,9-10,16,19H,4-5,7-8H2,1H3,(H,17,18)
• InChIKey: ZKKACOLNMLRZKB-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 79.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.34
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?

The IUPAC name of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (CID 110905460) is 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.

What is the SMILES notation for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?

The canonical SMILES for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is CC(O)CNCc1cn[nH]c1-c1ccc2c(c1)OCCO2.

What is the InChIKey of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?

The InChIKey is ZKKACOLNMLRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(19)7-16-8-12-9-17-18-15(12)11-2-3-13-14(6-11)21-5-4-20-13/h2-3,6,9-10,16,19H,4-5,7-8H2,1H3,(H,17,18).

What are the key properties of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?

1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 289.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 110905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).