2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

C19H19N3O2 — CID 129115739

IUPAC2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1ccccc1C=O
InChIInChI=1S/C19H19N3O2/c1-14(2)22-17(9-11-21-22)19-16(7-5-10-20-19)13-24-18-8-4-3-6-15(18)12-23/h3-12,14H,13H2,1-2H3
InChIKeyOKUCLQQYSSAGPH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.92
Rot. Bonds6

About 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde

2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (PubChem CID 129115739) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
PubChem CID129115739
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1ccccc1C=O
InChIInChI=1S/C19H19N3O2/c1-14(2)22-17(9-11-21-22)19-16(7-5-10-20-19)13-24-18-8-4-3-6-15(18)12-23/h3-12,14H,13H2,1-2H3
InChIKeyOKUCLQQYSSAGPH-UHFFFAOYSA-N
XLogP3.92
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.92
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 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The IUPAC name of 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde (CID 129115739) is 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The canonical SMILES for 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is CC(C)n1nccc1-c1ncccc1COc1ccccc1C=O.
What is the InChIKey of 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
The InChIKey is OKUCLQQYSSAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(2)22-17(9-11-21-22)19-16(7-5-10-20-19)13-24-18-8-4-3-6-15(18)12-23/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde?
2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde has a molecular weight of 321.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde is sourced from PubChem (CID 129115739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).