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

C19H23N3O2 — CID 95605911

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

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95605911) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95605911
• Molecular Formula: C19H23N3O2
• Molecular Weight: 325.41 g/mol
• Exact Mass: 325.18
• IUPAC Name: [(2S)-2,3-dihydro-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)[C@@H]2Cc3ccccc3O2)n1
• InChI: InChI=1S/C19H23N3O2/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/h3-4,6,8,10,16,18H,5,7,9,11-12H2,1-2H3/t16-,18+/m1/s1
• InChIKey: LHGQMAWCUTUEEI-AEFFLSMTSA-N
• XLogP: 2.49
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.41
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95605911) is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for [(2S)-2,3-dihydro-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)[C@@H]2Cc3ccccc3O2)n1.

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

The InChIKey is LHGQMAWCUTUEEI-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H23N3O2/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/h3-4,6,8,10,16,18H,5,7,9,11-12H2,1-2H3/t16-,18+/m1/s1.

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

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95605911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).