2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide

C17H19N3O3 — CID 90622725

About 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide

2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 90622725) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide
• PubChem CID: 90622725
• Molecular Formula: C17H19N3O3
• Molecular Weight: 313.36 g/mol
• Exact Mass: 313.14
• IUPAC Name: 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide
• SMILES: O=C(CC1CC1)Nc1cnn(CC2COc3ccccc3O2)c1
• InChI: InChI=1S/C17H19N3O3/c21-17(7-12-5-6-12)19-13-8-18-20(9-13)10-14-11-22-15-3-1-2-4-16(15)23-14/h1-4,8-9,12,14H,5-7,10-11H2,(H,19,21)
• InChIKey: ODPYTBIIFYQOJH-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.36
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide (CID 90622725) is 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide is O=C(CC1CC1)Nc1cnn(CC2COc3ccccc3O2)c1.

What is the InChIKey of 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide?

The InChIKey is ODPYTBIIFYQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(7-12-5-6-12)19-13-8-18-20(9-13)10-14-11-22-15-3-1-2-4-16(15)23-14/h1-4,8-9,12,14H,5-7,10-11H2,(H,19,21).

What are the key properties of 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide?

2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 90622725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).