1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone

C18H30N4O2 — CID 54673636

IUPAC1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C18H30N4O2/c1-16(23)21-11-9-20(10-12-21)13-14-24-15-17-7-8-22(19-17)18-5-3-2-4-6-18/h7-8,18H,2-6,9-15H2,1H3
InChIKeyPXEPAXKQCKJMQZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.07
Rot. Bonds6

About 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 54673636) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone
PubChem CID54673636
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C18H30N4O2/c1-16(23)21-11-9-20(10-12-21)13-14-24-15-17-7-8-22(19-17)18-5-3-2-4-6-18/h7-8,18H,2-6,9-15H2,1H3
InChIKeyPXEPAXKQCKJMQZ-UHFFFAOYSA-N
XLogP2.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.07
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-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone (CID 54673636) is 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
The InChIKey is PXEPAXKQCKJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-16(23)21-11-9-20(10-12-21)13-14-24-15-17-7-8-22(19-17)18-5-3-2-4-6-18/h7-8,18H,2-6,9-15H2,1H3.
What are the key properties of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone has a molecular weight of 334.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 54673636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).