1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

C15H11N3O — CID 877236

IUPAC1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C15H11N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h1-11H
InChIKeyRPXJROJLJRFFOF-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.75
Rot. Bonds3

About 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde

1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 877236) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID877236
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C15H11N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h1-11H
InChIKeyRPXJROJLJRFFOF-UHFFFAOYSA-N
XLogP2.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.75
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 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde (CID 877236) is 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is RPXJROJLJRFFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-11-13-10-18(14-4-2-1-3-5-14)17-15(13)12-6-8-16-9-7-12/h1-11H.
What are the key properties of 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde?
1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 877236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).