1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

C17H22N4O2 — CID 124820733

About 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 124820733) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
• PubChem CID: 124820733
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
• SMILES: CO[C@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1Cc1cnn(C)c1
• InChI: InChI=1S/C17H22N4O2/c1-20-12-13(11-19-20)9-15-16(23-2)6-8-21(15)17(22)10-14-5-3-4-7-18-14/h3-5,7,11-12,15-16H,6,8-10H2,1-2H3/t15-,16+/m1/s1
• InChIKey: UZFFZHOOTYYQKI-CVEARBPZSA-N
• XLogP: 1.22
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (CID 124820733) is 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is CO[C@H]1CCN(C(=O)Cc2ccccn2)[C@@H]1Cc1cnn(C)c1.

What is the InChIKey of 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

The InChIKey is UZFFZHOOTYYQKI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-12-13(11-19-20)9-15-16(23-2)6-8-21(15)17(22)10-14-5-3-4-7-18-14/h3-5,7,11-12,15-16H,6,8-10H2,1-2H3/t15-,16+/m1/s1.

What are the key properties of 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?

1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 314.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 124820733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).