1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one

C19H32N4O — CID 46963063

IUPAC1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C19H32N4O/c1-14(2)23-16(4)18(15(3)20-23)12-21-10-11-22(19(24)13-21)17-8-6-5-7-9-17/h14,17H,5-13H2,1-4H3
InChIKeyZLLMITDKZPRQOT-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one

1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one (PubChem CID 46963063) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
PubChem CID46963063
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C19H32N4O/c1-14(2)23-16(4)18(15(3)20-23)12-21-10-11-22(19(24)13-21)17-8-6-5-7-9-17/h14,17H,5-13H2,1-4H3
InChIKeyZLLMITDKZPRQOT-UHFFFAOYSA-N
XLogP3.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one (CID 46963063) is 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one is Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one?
The InChIKey is ZLLMITDKZPRQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14(2)23-16(4)18(15(3)20-23)12-21-10-11-22(19(24)13-21)17-8-6-5-7-9-17/h14,17H,5-13H2,1-4H3.
What are the key properties of 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one?
1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one has a molecular weight of 332.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 46963063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).