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

C19H32N4O2 — CID 54673637

IUPAC1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C19H32N4O2/c1-17(24)22-13-11-21(12-14-22)9-5-15-25-16-18-8-10-23(20-18)19-6-3-2-4-7-19/h8,10,19H,2-7,9,11-16H2,1H3
InChIKeyGSGQDJWLIIXJGJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.46
Rot. Bonds7

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

1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone (PubChem CID 54673637) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone
PubChem CID54673637
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C19H32N4O2/c1-17(24)22-13-11-21(12-14-22)9-5-15-25-16-18-8-10-23(20-18)19-6-3-2-4-7-19/h8,10,19H,2-7,9,11-16H2,1H3
InChIKeyGSGQDJWLIIXJGJ-UHFFFAOYSA-N
XLogP2.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.46
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-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone (CID 54673637) is 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCOCc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone?
The InChIKey is GSGQDJWLIIXJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-17(24)22-13-11-21(12-14-22)9-5-15-25-16-18-8-10-23(20-18)19-6-3-2-4-7-19/h8,10,19H,2-7,9,11-16H2,1H3.
What are the key properties of 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone?
1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(1-cyclohexylpyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 54673637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).