[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

C18H32N4O2 — CID 72911903

IUPAC[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)C(CC)C1
InChIInChI=1S/C18H32N4O2/c1-6-16-13-20(8-9-21(16)14(3)4)18(23)17-12-15(5)19-22(17)10-11-24-7-2/h12,14,16H,6-11,13H2,1-5H3
InChIKeyDMOQSQJKPCKMHS-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.17
Rot. Bonds7

About [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 72911903) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID72911903
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)C(CC)C1
InChIInChI=1S/C18H32N4O2/c1-6-16-13-20(8-9-21(16)14(3)4)18(23)17-12-15(5)19-22(17)10-11-24-7-2/h12,14,16H,6-11,13H2,1-5H3
InChIKeyDMOQSQJKPCKMHS-UHFFFAOYSA-N
XLogP2.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (CID 72911903) is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is CCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)C(CC)C1.
What is the InChIKey of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DMOQSQJKPCKMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-6-16-13-20(8-9-21(16)14(3)4)18(23)17-12-15(5)19-22(17)10-11-24-7-2/h12,14,16H,6-11,13H2,1-5H3.
What are the key properties of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 336.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 72911903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).