[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate

C24H32N4O7 — CID 176997790

About [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate

[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate (PubChem CID 176997790) has the molecular formula C24H32N4O7 and a molecular weight of 488.54 g/mol. Its IUPAC name is [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate
• PubChem CID: 176997790
• Molecular Formula: C24H32N4O7
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.23
• IUPAC Name: [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate
• SMILES: CCN(C(=O)OC1CCC(c2cc(NC(=O)COc3cc(OC)cc(O)c3C=O)n[nH]2)C1)C(C)C
• InChI: InChI=1S/C24H32N4O7/c1-5-28(14(2)3)24(32)35-16-7-6-15(8-16)19-11-22(27-26-19)25-23(31)13-34-21-10-17(33-4)9-20(30)18(21)12-29/h9-12,14-16,30H,5-8,13H2,1-4H3,(H2,25,26,27,31)
• InChIKey: GDJBVSKQHDQKDG-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 143.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate?

The IUPAC name of [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate (CID 176997790) is [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate.

What is the SMILES notation for [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate?

The canonical SMILES for [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate is CCN(C(=O)OC1CCC(c2cc(NC(=O)COc3cc(OC)cc(O)c3C=O)n[nH]2)C1)C(C)C.

What is the InChIKey of [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate?

The InChIKey is GDJBVSKQHDQKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O7/c1-5-28(14(2)3)24(32)35-16-7-6-15(8-16)19-11-22(27-26-19)25-23(31)13-34-21-10-17(33-4)9-20(30)18(21)12-29/h9-12,14-16,30H,5-8,13H2,1-4H3,(H2,25,26,27,31).

What are the key properties of [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate?

[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate has a molecular weight of 488.54 g/mol, XLogP of 3.46, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 176997790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).