1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde

C15H9ClFN3O — CID 64593870

IUPAC1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Cl)c2)nc1-c1cncc(F)c1
InChIInChI=1S/C15H9ClFN3O/c16-12-2-1-3-14(5-12)20-8-11(9-21)15(19-20)10-4-13(17)7-18-6-10/h1-9H
InChIKeyLCZNKQNZSHSKEZ-UHFFFAOYSA-N
MW301.71 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde

1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde (PubChem CID 64593870) has the molecular formula C15H9ClFN3O and a molecular weight of 301.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
PubChem CID64593870
Molecular FormulaC15H9ClFN3O
Molecular Weight301.71 g/mol
Exact Mass301.04
IUPAC Name1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Cl)c2)nc1-c1cncc(F)c1
InChIInChI=1S/C15H9ClFN3O/c16-12-2-1-3-14(5-12)20-8-11(9-21)15(19-20)10-4-13(17)7-18-6-10/h1-9H
InChIKeyLCZNKQNZSHSKEZ-UHFFFAOYSA-N
XLogP3.54
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 53.54
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-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde (CID 64593870) is 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2cccc(Cl)c2)nc1-c1cncc(F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde?
The InChIKey is LCZNKQNZSHSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O/c16-12-2-1-3-14(5-12)20-8-11(9-21)15(19-20)10-4-13(17)7-18-6-10/h1-9H.
What are the key properties of 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde?
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde has a molecular weight of 301.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 64593870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).