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

C18H32N4O2 — CID 97203880

IUPAC[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)[C@H](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/t16-/m1/s1
InChIKeyDMOQSQJKPCKMHS-MRXNPFEDSA-N
MW336.48 g/mol
LogP2.17
Rot. Bonds7

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

[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 97203880) 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]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID97203880
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)[C@H](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/t16-/m1/s1
InChIKeyDMOQSQJKPCKMHS-MRXNPFEDSA-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]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (CID 97203880) is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is CCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)[C@H](CC)C1.
What is the InChIKey of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is DMOQSQJKPCKMHS-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-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]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 97203880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).