3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde

C20H25N3O2 — CID 118867860

IUPAC3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ncccc1OCC1CCCCC1c1ccnn1C1CCC1
InChIInChI=1S/C20H25N3O2/c24-13-18-20(9-4-11-21-18)25-14-15-5-1-2-8-17(15)19-10-12-22-23(19)16-6-3-7-16/h4,9-13,15-17H,1-3,5-8,14H2
InChIKeyGRDZODWALGIGTL-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.17
Rot. Bonds6

About 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde

3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde (PubChem CID 118867860) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
PubChem CID118867860
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ncccc1OCC1CCCCC1c1ccnn1C1CCC1
InChIInChI=1S/C20H25N3O2/c24-13-18-20(9-4-11-21-18)25-14-15-5-1-2-8-17(15)19-10-12-22-23(19)16-6-3-7-16/h4,9-13,15-17H,1-3,5-8,14H2
InChIKeyGRDZODWALGIGTL-UHFFFAOYSA-N
XLogP4.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde (CID 118867860) is 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde is O=Cc1ncccc1OCC1CCCCC1c1ccnn1C1CCC1.
What is the InChIKey of 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
The InChIKey is GRDZODWALGIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-13-18-20(9-4-11-21-18)25-14-15-5-1-2-8-17(15)19-10-12-22-23(19)16-6-3-7-16/h4,9-13,15-17H,1-3,5-8,14H2.
What are the key properties of 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde has a molecular weight of 339.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 118867860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).