cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

C24H33N3O2 — CID 95831490

About cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 95831490) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 95831490
• Molecular Formula: C24H33N3O2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.26
• IUPAC Name: cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCC4)C3)n[nH]2)cc1
• InChI: InChI=1S/C24H33N3O2/c1-17(2)18-7-9-22(10-8-18)29-14-12-21-15-23(26-25-21)20-11-13-27(16-20)24(28)19-5-3-4-6-19/h7-10,15,17,19-20H,3-6,11-14,16H2,1-2H3,(H,25,26)/t20-/m0/s1
• InChIKey: JZKIPDPQPLYKDZ-FQEVSTJZSA-N
• XLogP: 4.66
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (CID 95831490) is cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCC4)C3)n[nH]2)cc1.

What is the InChIKey of cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is JZKIPDPQPLYKDZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-17(2)18-7-9-22(10-8-18)29-14-12-21-15-23(26-25-21)20-11-13-27(16-20)24(28)19-5-3-4-6-19/h7-10,15,17,19-20H,3-6,11-14,16H2,1-2H3,(H,25,26)/t20-/m0/s1.

What are the key properties of cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95831490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).