1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one

C18H30N4O2 — CID 56703940

IUPAC1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
SMILESCc1nn(CCO)c(C)c1CN1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C18H30N4O2/c1-14-17(15(2)22(19-14)10-11-23)12-20-8-9-21(18(24)13-20)16-6-4-3-5-7-16/h16,23H,3-13H2,1-2H3
InChIKeyLCEFADZCSDLOMR-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.47
Rot. Bonds5

About 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one

1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one (PubChem CID 56703940) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
PubChem CID56703940
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
SMILESCc1nn(CCO)c(C)c1CN1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C18H30N4O2/c1-14-17(15(2)22(19-14)10-11-23)12-20-8-9-21(18(24)13-20)16-6-4-3-5-7-16/h16,23H,3-13H2,1-2H3
InChIKeyLCEFADZCSDLOMR-UHFFFAOYSA-N
XLogP1.47
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-4-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]piperazin-2-one
CID 25914578
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone
CID 97405045
N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide
CID 47613485
3-[[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 47614961
N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide
CID 70781453
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 95722901
N~1~-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-methylglycinamide
CID 118774020
(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124754599
4-(2-Cyclohexylethyl)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,4-diazepan-5-one
CID 132411753
N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 164639511

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one (CID 56703940) is 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one is Cc1nn(CCO)c(C)c1CN1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one?
The InChIKey is LCEFADZCSDLOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-17(15(2)22(19-14)10-11-23)12-20-8-9-21(18(24)13-20)16-6-4-3-5-7-16/h16,23H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one?
1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one has a molecular weight of 334.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 56703940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).