6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde

C14H17N3O — CID 82694898

IUPAC6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCCc1cc(CC)n(-c2ncc(C=O)cc2C)n1
InChIInChI=1S/C14H17N3O/c1-4-12-7-13(5-2)17(16-12)14-10(3)6-11(9-18)8-15-14/h6-9H,4-5H2,1-3H3
InChIKeyYQCZYIRGCVTNAT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds4

About 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde

6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde (PubChem CID 82694898) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde
PubChem CID82694898
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde
SMILESCCc1cc(CC)n(-c2ncc(C=O)cc2C)n1
InChIInChI=1S/C14H17N3O/c1-4-12-7-13(5-2)17(16-12)14-10(3)6-11(9-18)8-15-14/h6-9H,4-5H2,1-3H3
InChIKeyYQCZYIRGCVTNAT-UHFFFAOYSA-N
XLogP2.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde (CID 82694898) is 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde is CCc1cc(CC)n(-c2ncc(C=O)cc2C)n1.
What is the InChIKey of 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is YQCZYIRGCVTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-12-7-13(5-2)17(16-12)14-10(3)6-11(9-18)8-15-14/h6-9H,4-5H2,1-3H3.
What are the key properties of 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde?
6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 82694898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).