5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde

C10H8FN3O — CID 46197465

IUPAC5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
SMILESNc1c(C=O)cnn1-c1ccccc1F
InChIInChI=1S/C10H8FN3O/c11-8-3-1-2-4-9(8)14-10(12)7(6-15)5-13-14/h1-6H,12H2
InChIKeyHNOYQZQBEZCWKS-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.41
Rot. Bonds2

About 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde

5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 46197465) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
PubChem CID46197465
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
SMILESNc1c(C=O)cnn1-c1ccccc1F
InChIInChI=1S/C10H8FN3O/c11-8-3-1-2-4-9(8)14-10(12)7(6-15)5-13-14/h1-6H,12H2
InChIKeyHNOYQZQBEZCWKS-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-(2-fluorophenyl)pyrazole-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-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde (CID 46197465) is 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde is Nc1c(C=O)cnn1-c1ccccc1F.
What is the InChIKey of 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is HNOYQZQBEZCWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-8-3-1-2-4-9(8)14-10(12)7(6-15)5-13-14/h1-6H,12H2.
What are the key properties of 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde?
5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 46197465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).