1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C₁₉H₂₄ClN₅O₃ — CID 120852559

About 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852559) has the molecular formula C₁₉H₂₄ClN₅O₃ and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• PubChem CID: 120852559
• Molecular Formula: C₁₉H₂₄ClN₅O₃
• Molecular Weight: 405.89 g/mol
• Exact Mass: 405.16
• IUPAC Name: 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• SMILES: COCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1.Cl
• InChI: InChI=1S/C19H23N5O3.ClH/c1-25-11-12-26-15-13-24(14-7-3-2-4-8-14)22-16(15)17-21-18(23-27-17)19(20)9-5-6-10-19;/h2-4,7-8,13H,5-6,9-12,20H2,1H3;1H
• InChIKey: GOGWCOBXVWPCSN-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.89
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The IUPAC name of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852559) is 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

What is the SMILES notation for 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The canonical SMILES for 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is COCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1.Cl.

What is the InChIKey of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The InChIKey is GOGWCOBXVWPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.ClH/c1-25-11-12-26-15-13-24(14-7-3-2-4-8-14)22-16(15)17-21-18(23-27-17)19(20)9-5-6-10-19;/h2-4,7-8,13H,5-6,9-12,20H2,1H3;1H.

What are the key properties of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120852559 — identifiers, structure, computed properties (public domain)

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