1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde

C15H9F2N3O — CID 3862147

IUPAC1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2F)nc1-c1cccnc1
InChIInChI=1S/C15H9F2N3O/c16-12-3-4-14(13(17)6-12)20-8-11(9-21)15(19-20)10-2-1-5-18-7-10/h1-9H
InChIKeyHDBSWKBJQNALBI-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.03
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde

1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde (PubChem CID 3862147) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
PubChem CID3862147
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2F)nc1-c1cccnc1
InChIInChI=1S/C15H9F2N3O/c16-12-3-4-14(13(17)6-12)20-8-11(9-21)15(19-20)10-2-1-5-18-7-10/h1-9H
InChIKeyHDBSWKBJQNALBI-UHFFFAOYSA-N
XLogP3.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.03
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-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde (CID 3862147) is 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(F)cc2F)nc1-c1cccnc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
The InChIKey is HDBSWKBJQNALBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c16-12-3-4-14(13(17)6-12)20-8-11(9-21)15(19-20)10-2-1-5-18-7-10/h1-9H.
What are the key properties of 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde?
1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde has a molecular weight of 285.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 3862147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).