1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde

C15H11N3O — CID 2316430

IUPAC1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C15H11N3O/c19-11-12-10-18(13-6-2-1-3-7-13)17-15(12)14-8-4-5-9-16-14/h1-11H
InChIKeyAOHOQZPDLJHDRM-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.75
Rot. Bonds3

About 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde

1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 2316430) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID2316430
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C15H11N3O/c19-11-12-10-18(13-6-2-1-3-7-13)17-15(12)14-8-4-5-9-16-14/h1-11H
InChIKeyAOHOQZPDLJHDRM-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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Related Compounds

1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
2-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352920
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
3-(4-acetylphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 152594279
CID 42604299
CID 42604299
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
3-(4-azidophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 4060798

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde (CID 2316430) is 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1-c1ccccn1.
What is the InChIKey of 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is AOHOQZPDLJHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-11-12-10-18(13-6-2-1-3-7-13)17-15(12)14-8-4-5-9-16-14/h1-11H.
What are the key properties of 1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde?
1-phenyl-3-pyridin-2-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-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 2316430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).