[3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate

C18H29N3O5 — CID 174158430

About [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate

[3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate (PubChem CID 174158430) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate.

Molecular Properties

• Compound Name: [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate
• PubChem CID: 174158430
• Molecular Formula: C18H29N3O5
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.21
• IUPAC Name: [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate
• SMILES: CCc1nn(CCOCCNC(=O)OC(C)(C)C)cc1OC(=O)C1CC1
• InChI: InChI=1S/C18H29N3O5/c1-5-14-15(25-16(22)13-6-7-13)12-21(20-14)9-11-24-10-8-19-17(23)26-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,23)
• InChIKey: HSXTZCSICQCACN-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate?

The IUPAC name of [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate (CID 174158430) is [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate.

What is the SMILES notation for [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate?

The canonical SMILES for [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate is CCc1nn(CCOCCNC(=O)OC(C)(C)C)cc1OC(=O)C1CC1.

What is the InChIKey of [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate?

The InChIKey is HSXTZCSICQCACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-5-14-15(25-16(22)13-6-7-13)12-21(20-14)9-11-24-10-8-19-17(23)26-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,23).

What are the key properties of [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate?

[3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-ethyl-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl] cyclopropanecarboxylate is sourced from PubChem (CID 174158430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).