N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H24N4O2 — CID 95215749

About N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 95215749) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
• PubChem CID: 95215749
• Molecular Formula: C19H24N4O2
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.19
• IUPAC Name: N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
• SMILES: Cn1cc(CN2CC[C@H](CNC(=O)c3ccc4c(c3)CCO4)C2)cn1
• InChI: InChI=1S/C19H24N4O2/c1-22-11-15(10-21-22)13-23-6-4-14(12-23)9-20-19(24)17-2-3-18-16(8-17)5-7-25-18/h2-3,8,10-11,14H,4-7,9,12-13H2,1H3,(H,20,24)/t14-/m1/s1
• InChIKey: BIHHYXCIQPGLKF-CQSZACIVSA-N
• XLogP: 1.61
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The IUPAC name of N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 95215749) is N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

What is the SMILES notation for N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The canonical SMILES for N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Cn1cc(CN2CC[C@H](CNC(=O)c3ccc4c(c3)CCO4)C2)cn1.

What is the InChIKey of N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The InChIKey is BIHHYXCIQPGLKF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-11-15(10-21-22)13-23-6-4-14(12-23)9-20-19(24)17-2-3-18-16(8-17)5-7-25-18/h2-3,8,10-11,14H,4-7,9,12-13H2,1H3,(H,20,24)/t14-/m1/s1.

What are the key properties of N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 95215749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).