2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde

C15H13N3O — CID 43122055

IUPAC2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde
SMILESCc1cc(C)n(-c2nc3ccccc3cc2C=O)n1
InChIInChI=1S/C15H13N3O/c1-10-7-11(2)18(17-10)15-13(9-19)8-12-5-3-4-6-14(12)16-15/h3-9H,1-2H3
InChIKeyDIXYNAKREYLFPH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde

2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde (PubChem CID 43122055) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde
PubChem CID43122055
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde
SMILESCc1cc(C)n(-c2nc3ccccc3cc2C=O)n1
InChIInChI=1S/C15H13N3O/c1-10-7-11(2)18(17-10)15-13(9-19)8-12-5-3-4-6-14(12)16-15/h3-9H,1-2H3
InChIKeyDIXYNAKREYLFPH-UHFFFAOYSA-N
XLogP2.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.85
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 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde (CID 43122055) is 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde is Cc1cc(C)n(-c2nc3ccccc3cc2C=O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde?
The InChIKey is DIXYNAKREYLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-7-11(2)18(17-10)15-13(9-19)8-12-5-3-4-6-14(12)16-15/h3-9H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde?
2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde is sourced from PubChem (CID 43122055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).