2-(1H-pyrazol-1-yl)benzaldehyde
TL;DR: 2-(1H-pyrazol-1-yl)benzaldehyde (CAS 138479-47-7) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyrazol-1-ylbenzaldehyde
Also Known As: 2-Pyrazol-1-yl-benzaldehyde, 2-(1H-pyrazol-1-yl)benzaldehyde, 2-pyrazol-1-ylbenzaldehyde, 2-pyrazolylbenzaldehyde, 1-(2-Formylphenyl)pyrazole
Technical Specifications
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.06366 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 Da |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| SMILES | C1=CC=C(C(=C1)C=O)N2C=CC=N2 |
| InChIKey | KIGZYDJKBTYFBZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-pyrazol-1-yl)benzaldehyde
Property Insights of 2-(1H-pyrazol-1-yl)benzaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-pyrazol-1-yl)benzaldehyde. With a topological polar surface area (TPSA) of 34.9 Ų, 2-(1H-pyrazol-1-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-pyrazol-1-yl)benzaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1H-pyrazol-1-yl)benzaldehyde?
The CAS number of 2-(1H-pyrazol-1-yl)benzaldehyde is 138479-47-7.
What is the molecular formula of 2-(1H-pyrazol-1-yl)benzaldehyde?
The molecular formula of 2-(1H-pyrazol-1-yl)benzaldehyde is C10H8N2O.
What is the molecular weight of 2-(1H-pyrazol-1-yl)benzaldehyde?
The molecular weight of 2-(1H-pyrazol-1-yl)benzaldehyde is 172.06366 g/mol.
Where can I buy 2-(1H-pyrazol-1-yl)benzaldehyde?
You can request a quote for 2-(1H-pyrazol-1-yl)benzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-pyrazol-1-yl)benzaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-(1H-pyrazol-1-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.