3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide

C15H17FN4O2 — CID 56705794

About 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide

3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide (PubChem CID 56705794) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide
• PubChem CID: 56705794
• Molecular Formula: C15H17FN4O2
• Molecular Weight: 304.33 g/mol
• Exact Mass: 304.13
• IUPAC Name: 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide
• SMILES: NCC1Cc2cc(F)cc(-c3cnn(CCC(N)=O)c3)c2O1
• InChI: InChI=1S/C15H17FN4O2/c16-11-3-9-4-12(6-17)22-15(9)13(5-11)10-7-19-20(8-10)2-1-14(18)21/h3,5,7-8,12H,1-2,4,6,17H2,(H2,18,21)
• InChIKey: HYIILQQUKNWZDQ-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 96.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.33
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide?

The IUPAC name of 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide (CID 56705794) is 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide.

What is the SMILES notation for 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide?

The canonical SMILES for 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide is NCC1Cc2cc(F)cc(-c3cnn(CCC(N)=O)c3)c2O1.

What is the InChIKey of 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide?

The InChIKey is HYIILQQUKNWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-11-3-9-4-12(6-17)22-15(9)13(5-11)10-7-19-20(8-10)2-1-14(18)21/h3,5,7-8,12H,1-2,4,6,17H2,(H2,18,21).

What are the key properties of 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide?

3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide has a molecular weight of 304.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 56705794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).