1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone

C20H34N4O2 — CID 54673638

IUPAC1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H34N4O2/c1-18(25)23-14-12-22(13-15-23)10-5-6-16-26-17-19-9-11-24(21-19)20-7-3-2-4-8-20/h9,11,20H,2-8,10,12-17H2,1H3
InChIKeyQSDXSLNNWHZHDE-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.85
Rot. Bonds8

About 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone

1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone (PubChem CID 54673638) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone
PubChem CID54673638
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H34N4O2/c1-18(25)23-14-12-22(13-15-23)10-5-6-16-26-17-19-9-11-24(21-19)20-7-3-2-4-8-20/h9,11,20H,2-8,10,12-17H2,1H3
InChIKeyQSDXSLNNWHZHDE-UHFFFAOYSA-N
XLogP2.85
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.85
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 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone (CID 54673638) is 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCCOCc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone?
The InChIKey is QSDXSLNNWHZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-18(25)23-14-12-22(13-15-23)10-5-6-16-26-17-19-9-11-24(21-19)20-7-3-2-4-8-20/h9,11,20H,2-8,10,12-17H2,1H3.
What are the key properties of 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone?
1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone has a molecular weight of 362.52 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(1-cyclohexylpyrazol-3-yl)methoxy]butyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 54673638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).