1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide

C19H18N4O2 — CID 45166516

About 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide

1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 45166516) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide
• PubChem CID: 45166516
• Molecular Formula: C19H18N4O2
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.14
• IUPAC Name: 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide
• SMILES: Cn1ccc(C(=O)NCC2Cc3cccc(-c4cccnc4)c3O2)n1
• InChI: InChI=1S/C19H18N4O2/c1-23-9-7-17(22-23)19(24)21-12-15-10-13-4-2-6-16(18(13)25-15)14-5-3-8-20-11-14/h2-9,11,15H,10,12H2,1H3,(H,21,24)
• InChIKey: BVDFAZUNPZDGSX-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide (CID 45166516) is 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2Cc3cccc(-c4cccnc4)c3O2)n1.

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

The InChIKey is BVDFAZUNPZDGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23-9-7-17(22-23)19(24)21-12-15-10-13-4-2-6-16(18(13)25-15)14-5-3-8-20-11-14/h2-9,11,15H,10,12H2,1H3,(H,21,24).

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

1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 45166516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).