3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
TL;DR: 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde (CAS 33033-33-9) is a chemical compound with molecular formula C10H7FN2O and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde, 5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde, 3-CHROMANONE, 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde, fluorophenylpyrazolecarbaldehyde
| Molecular Formula | C10H7FN2O |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.05424 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 33033-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C=NN2)C=O)F |
| InChIKey | CMXTUUXWJBLVEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde (CAS 33033-33-9), with molecular formula C10H7FN2O and molecular weight 190.05 g/mol. IUPAC: 5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
Property Insights of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde. With a topological polar surface area (TPSA) of 45.8 Ų, 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The CAS number of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde is 33033-33-9.
What is the molecular formula of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The molecular formula of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde is C10H7FN2O.
What is the molecular weight of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The molecular weight of 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde is 190.05 g/mol.
Where can I buy 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
You can request a quote for 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.