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

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