[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C19H23N3O — CID 95351274

About [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95351274) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95351274
• Molecular Formula: C19H23N3O
• Molecular Weight: 309.41 g/mol
• Exact Mass: 309.18
• IUPAC Name: [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)c1
• InChI: InChI=1S/C19H23N3O/c1-14-11-20-21(12-14)13-16-6-4-10-22(16)19(23)18-9-8-15-5-2-3-7-17(15)18/h2-3,5,7,11-12,16,18H,4,6,8-10,13H2,1H3/t16-,18-/m1/s1
• InChIKey: PCANBFCZDNHWRX-SJLPKXTDSA-N
• XLogP: 2.91
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.41
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95351274) is [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)c1.

What is the InChIKey of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is PCANBFCZDNHWRX-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-11-20-21(12-14)13-16-6-4-10-22(16)19(23)18-9-8-15-5-2-3-7-17(15)18/h2-3,5,7,11-12,16,18H,4,6,8-10,13H2,1H3/t16-,18-/m1/s1.

What are the key properties of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95351274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).