3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

C21H22N4O2 — CID 45187464

About 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide (PubChem CID 45187464) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
• PubChem CID: 45187464
• Molecular Formula: C21H22N4O2
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.17
• IUPAC Name: 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
• SMILES: Cc1ccn(CCC(=O)NCC2Cc3cccc(-c4ccncc4)c3O2)n1
• InChI: InChI=1S/C21H22N4O2/c1-15-7-11-25(24-15)12-8-20(26)23-14-18-13-17-3-2-4-19(21(17)27-18)16-5-9-22-10-6-16/h2-7,9-11,18H,8,12-14H2,1H3,(H,23,26)
• InChIKey: ZYYDFWMHLUPUOD-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide (CID 45187464) is 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide is Cc1ccn(CCC(=O)NCC2Cc3cccc(-c4ccncc4)c3O2)n1.

What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

The InChIKey is ZYYDFWMHLUPUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-7-11-25(24-15)12-8-20(26)23-14-18-13-17-3-2-4-19(21(17)27-18)16-5-9-22-10-6-16/h2-7,9-11,18H,8,12-14H2,1H3,(H,23,26).

What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide is sourced from PubChem (CID 45187464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).