2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one

C₁₅H₂₅N₃O — CID 146088793

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one (PubChem CID 146088793) has the molecular formula C₁₅H₂₅N₃O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
• PubChem CID: 146088793
• Molecular Formula: C₁₅H₂₅N₃O
• Molecular Weight: 263.38 g/mol
• Exact Mass: 263.20
• IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
• SMILES: CCC1CCCN(C(=O)C(C)c2c(C)n[nH]c2C)C1
• InChI: InChI=1S/C15H25N3O/c1-5-13-7-6-8-18(9-13)15(19)10(2)14-11(3)16-17-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,17)
• InChIKey: PLWQPVSGIWGKQM-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.38
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?

The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one (CID 146088793) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one.

What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?

The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one is CCC1CCCN(C(=O)C(C)c2c(C)n[nH]c2C)C1.

What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?

The InChIKey is PLWQPVSGIWGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-13-7-6-8-18(9-13)15(19)10(2)14-11(3)16-17-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,17).

What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 146088793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146088793 — identifiers, structure, computed properties (public domain)

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