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

C20H34N4O2 — CID 54673655

IUPAC1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H34N4O2/c1-17(2)20(25)23-12-10-22(11-13-23)14-15-26-16-18-8-9-24(21-18)19-6-4-3-5-7-19/h8-9,17,19H,3-7,10-16H2,1-2H3
InChIKeyMAMFHJVAKCGQFB-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.71
Rot. Bonds7

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

1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 54673655) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID54673655
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C20H34N4O2/c1-17(2)20(25)23-12-10-22(11-13-23)14-15-26-16-18-8-9-24(21-18)19-6-4-3-5-7-19/h8-9,17,19H,3-7,10-16H2,1-2H3
InChIKeyMAMFHJVAKCGQFB-UHFFFAOYSA-N
XLogP2.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one (CID 54673655) is 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(CCOCc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is MAMFHJVAKCGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-17(2)20(25)23-12-10-22(11-13-23)14-15-26-16-18-8-9-24(21-18)19-6-4-3-5-7-19/h8-9,17,19H,3-7,10-16H2,1-2H3.
What are the key properties of 1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 362.52 g/mol, XLogP of 2.71, 7 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]-2-methylpropan-1-one is sourced from PubChem (CID 54673655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).