3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one

C23H31N3O3 — CID 127249457

About 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 127249457) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 127249457
• Molecular Formula: C23H31N3O3
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.24
• IUPAC Name: 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: COc1ccccc1OCc1cc(C2CCN(C(=O)CCC3CCCC3)C2)n[nH]1
• InChI: InChI=1S/C23H31N3O3/c1-28-21-8-4-5-9-22(21)29-16-19-14-20(25-24-19)18-12-13-26(15-18)23(27)11-10-17-6-2-3-7-17/h4-5,8-9,14,17-18H,2-3,6-7,10-13,15-16H2,1H3,(H,24,25)
• InChIKey: VGDAPTUZDHCNES-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one (CID 127249457) is 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one is COc1ccccc1OCc1cc(C2CCN(C(=O)CCC3CCCC3)C2)n[nH]1.

What is the InChIKey of 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is VGDAPTUZDHCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-21-8-4-5-9-22(21)29-16-19-14-20(25-24-19)18-12-13-26(15-18)23(27)11-10-17-6-2-3-7-17/h4-5,8-9,14,17-18H,2-3,6-7,10-13,15-16H2,1H3,(H,24,25).

What are the key properties of 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one?

3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 397.52 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 127249457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).