1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C19H21N3O2 — CID 95605865

About 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95605865) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95605865
• Molecular Formula: C19H21N3O2
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.16
• IUPAC Name: 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc3ccccc3o2)n1
• InChI: InChI=1S/C19H21N3O2/c1-13-10-14(2)22(20-13)12-16-7-5-9-21(16)19(23)18-11-15-6-3-4-8-17(15)24-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3/t16-/m1/s1
• InChIKey: DHODZAPWXDOIJE-MRXNPFEDSA-N
• XLogP: 3.55
• TPSA: 51.27 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95605865) is 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc3ccccc3o2)n1.

What is the InChIKey of 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is DHODZAPWXDOIJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-10-14(2)22(20-13)12-16-7-5-9-21(16)19(23)18-11-15-6-3-4-8-17(15)24-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3/t16-/m1/s1.

What are the key properties of 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95605865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).