3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one

C19H24FN3O2 — CID 95352844

About 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one

3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95352844) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 95352844
• Molecular Formula: C19H24FN3O2
• Molecular Weight: 345.42 g/mol
• Exact Mass: 345.19
• IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
• SMILES: COc1ccc(CCC(=O)N2CCC[C@H]2Cn2cc(C)cn2)cc1F
• InChI: InChI=1S/C19H24FN3O2/c1-14-11-21-22(12-14)13-16-4-3-9-23(16)19(24)8-6-15-5-7-18(25-2)17(20)10-15/h5,7,10-12,16H,3-4,6,8-9,13H2,1-2H3/t16-/m0/s1
• InChIKey: WRYYSFXKQMQQAW-INIZCTEOSA-N
• XLogP: 2.96
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.42
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 95352844) is 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCC[C@H]2Cn2cc(C)cn2)cc1F.

What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is WRYYSFXKQMQQAW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-14-11-21-22(12-14)13-16-4-3-9-23(16)19(24)8-6-15-5-7-18(25-2)17(20)10-15/h5,7,10-12,16H,3-4,6,8-9,13H2,1-2H3/t16-/m0/s1.

What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?

3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95352844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).