1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde

C14H9FN2OS — CID 38997102

IUPAC1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C14H9FN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-9H
InChIKeyXPXQOGXFHLZYGP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde

1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde (PubChem CID 38997102) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
PubChem CID38997102
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C14H9FN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-9H
InChIKeyXPXQOGXFHLZYGP-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde (CID 38997102) is 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(F)cc2)nc1-c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde?
The InChIKey is XPXQOGXFHLZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-9H.
What are the key properties of 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde?
1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 38997102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).