2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde

C11H16N2O2 — CID 83883851

IUPAC2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
SMILESO=CCc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O2/c14-7-6-9-8-11(15)13(12-9)10-4-2-1-3-5-10/h7-8,10,12H,1-6H2
InChIKeyLKXRUZHLUWPUEX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde

2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde (PubChem CID 83883851) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
PubChem CID83883851
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
SMILESO=CCc1cc(=O)n(C2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O2/c14-7-6-9-8-11(15)13(12-9)10-4-2-1-3-5-10/h7-8,10,12H,1-6H2
InChIKeyLKXRUZHLUWPUEX-UHFFFAOYSA-N
XLogP1.42
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde (CID 83883851) is 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde is O=CCc1cc(=O)n(C2CCCCC2)[nH]1.
What is the InChIKey of 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The InChIKey is LKXRUZHLUWPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-7-6-9-8-11(15)13(12-9)10-4-2-1-3-5-10/h7-8,10,12H,1-6H2.
What are the key properties of 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde has a molecular weight of 208.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde is sourced from PubChem (CID 83883851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).