3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde (CAS 161398-15-8) is a chemical compound with molecular formula C10H7FN2O and molecular weight 190.05424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde, 5-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde, 3-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde, ZERO/005198, 5168AD
Technical Specifications
| Molecular Formula | C10H7FN2O |
| Molecular Weight | 190.05424 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.05424 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | C1=CC(=CC(=C1)F)C2=C(C=NN2)C=O |
| InChIKey | WXVQLDOGLPCKKH-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 45.8 Ų, 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde 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
What is the CAS number of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde is 161398-15-8.
What is the molecular formula of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde is C10H7FN2O.
What is the molecular weight of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde is 190.05424 g/mol.
Where can I buy 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.