[4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium

C22H39FmN4O- — CID 167519778

IUPAC[4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium
SMILESCC.Cc1cnn(CC2(CCCN3CCN([C-]=O)CC3)CCCCC2)c1C.[Fm]
InChIInChI=1S/C20H33N4O.C2H6.Fm/c1-18-15-21-24(19(18)2)16-20(7-4-3-5-8-20)9-6-10-22-11-13-23(17-25)14-12-22;1-2;/h15H,3-14,16H2,1-2H3;1-2H3;/q-1;;
InChIKeyGRYYAOIREVZOKZ-UHFFFAOYSA-N
MW632.58 g/mol
LogP3.94
Rot. Bonds7

About [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium

[4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium (PubChem CID 167519778) has the molecular formula C22H39FmN4O- and a molecular weight of 632.58 g/mol. Its IUPAC name is [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium.

Molecular Properties

Compound Name[4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium
PubChem CID167519778
Molecular FormulaC22H39FmN4O-
Molecular Weight632.58 g/mol
Exact Mass632.41
IUPAC Name[4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium
SMILESCC.Cc1cnn(CC2(CCCN3CCN([C-]=O)CC3)CCCCC2)c1C.[Fm]
InChIInChI=1S/C20H33N4O.C2H6.Fm/c1-18-15-21-24(19(18)2)16-20(7-4-3-5-8-20)9-6-10-22-11-13-23(17-25)14-12-22;1-2;/h15H,3-14,16H2,1-2H3;1-2H3;/q-1;;
InChIKeyGRYYAOIREVZOKZ-UHFFFAOYSA-N
XLogP3.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium?
The IUPAC name of [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium (CID 167519778) is [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium.
What is the SMILES notation for [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium?
The canonical SMILES for [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium is CC.Cc1cnn(CC2(CCCN3CCN([C-]=O)CC3)CCCCC2)c1C.[Fm].
What is the InChIKey of [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium?
The InChIKey is GRYYAOIREVZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N4O.C2H6.Fm/c1-18-15-21-24(19(18)2)16-20(7-4-3-5-8-20)9-6-10-22-11-13-23(17-25)14-12-22;1-2;/h15H,3-14,16H2,1-2H3;1-2H3;/q-1;;.
What are the key properties of [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium?
[4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium has a molecular weight of 632.58 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1-[(4,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium is sourced from PubChem (CID 167519778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).