2-(1H-Pyrazol-5-yl)aniline
TL;DR: 2-(1H-Pyrazol-5-yl)aniline (CAS 111562-32-4) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.07965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-pyrazol-5-yl)aniline
Also Known As: 2-(1H-Pyrazol-3-yl)aniline, 2-(1H-pyrazol-5-yl)aniline, (aminophenyl)pyrazole, 2-(3-Pyrazolyl)aniline, 2-(1H-Pyrazol-3-yl) aniline
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9N3 |
| Molecular Weight | 159.07965 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.07965 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=NN2)N |
| InChIKey | NRSKRRKWPPDKNI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-Pyrazol-5-yl)aniline
Property Insights of 2-(1H-Pyrazol-5-yl)aniline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Pyrazol-5-yl)aniline. With a topological polar surface area (TPSA) of 54.7 Ų, 2-(1H-Pyrazol-5-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-Pyrazol-5-yl)aniline has 2 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-5-yl)aniline?
The CAS number of 2-(1H-Pyrazol-5-yl)aniline is 111562-32-4.
What is the molecular formula of 2-(1H-Pyrazol-5-yl)aniline?
The molecular formula of 2-(1H-Pyrazol-5-yl)aniline is C9H9N3.
What is the molecular weight of 2-(1H-Pyrazol-5-yl)aniline?
The molecular weight of 2-(1H-Pyrazol-5-yl)aniline is 159.07965 g/mol.
Where can I buy 2-(1H-Pyrazol-5-yl)aniline?
You can request a quote for 2-(1H-Pyrazol-5-yl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-Pyrazol-5-yl)aniline?
Yes, CoreyChem provides custom synthesis services for 2-(1H-Pyrazol-5-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.