6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde

C12H11N3O2 — CID 162390228

IUPAC6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-n2nccc2OC2CC2)nc1
InChIInChI=1S/C12H11N3O2/c16-8-9-1-4-11(13-7-9)15-12(5-6-14-15)17-10-2-3-10/h1,4-8,10H,2-3H2
InChIKeyQYZNWVFLBVKGEJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.62
Rot. Bonds4

About 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde

6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde (PubChem CID 162390228) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde
PubChem CID162390228
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-n2nccc2OC2CC2)nc1
InChIInChI=1S/C12H11N3O2/c16-8-9-1-4-11(13-7-9)15-12(5-6-14-15)17-10-2-3-10/h1,4-8,10H,2-3H2
InChIKeyQYZNWVFLBVKGEJ-UHFFFAOYSA-N
XLogP1.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.62
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 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde (CID 162390228) is 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde is O=Cc1ccc(-n2nccc2OC2CC2)nc1.
What is the InChIKey of 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde?
The InChIKey is QYZNWVFLBVKGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-8-9-1-4-11(13-7-9)15-12(5-6-14-15)17-10-2-3-10/h1,4-8,10H,2-3H2.
What are the key properties of 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde?
6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde has a molecular weight of 229.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyloxypyrazol-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 162390228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).