5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde

C6H7FN2O — CID 18975489

IUPAC5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(F)c1C=O
InChIInChI=1S/C6H7FN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
InChIKeyZIBYBDIMFRIMQY-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.68
Rot. Bonds1

About 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde

5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 18975489) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID18975489
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(F)c1C=O
InChIInChI=1S/C6H7FN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
InChIKeyZIBYBDIMFRIMQY-UHFFFAOYSA-N
XLogP0.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-1,3-dimethylpyrazole-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 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde (CID 18975489) is 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(F)c1C=O.
What is the InChIKey of 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is ZIBYBDIMFRIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde?
5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 142.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 18975489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).