2-(1H-pyrazol-1-yl)aniline
TL;DR: 2-(1H-pyrazol-1-yl)aniline (CAS 54705-91-8) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrazol-1-ylaniline
Also Known As: 2-(1H-pyrazol-1-yl)aniline, 2-pyrazol-1-ylaniline, 2-(1-pyrazolyl)aniline, aminophenylpyrazole, 2- aniline
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.4545 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 365.0225 |
Chemical Identifiers
| CAS Number | 54705-91-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)N2C=CC=N2 |
Product Overview
2-(1H-pyrazol-1-yl)aniline (CAS 54705-91-8), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 2-pyrazol-1-ylaniline.
Chemical Property Profile of 2-(1H-pyrazol-1-yl)aniline
Property Insights of 2-(1H-pyrazol-1-yl)aniline
The XLogP value of 1.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-pyrazol-1-yl)aniline. With a topological polar surface area (TPSA) of 43.84 Ų, 2-(1H-pyrazol-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-pyrazol-1-yl)aniline has 1 hydrogen bond donor(s) and 2 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 2-(1H-pyrazol-1-yl)aniline?
The CAS number of 2-(1H-pyrazol-1-yl)aniline is 54705-91-8.
What is the molecular formula of 2-(1H-pyrazol-1-yl)aniline?
The molecular formula of 2-(1H-pyrazol-1-yl)aniline is C9H9N3.
What is the molecular weight of 2-(1H-pyrazol-1-yl)aniline?
The molecular weight of 2-(1H-pyrazol-1-yl)aniline is 159.08 g/mol.
Where can I buy 2-(1H-pyrazol-1-yl)aniline?
You can request a quote for 2-(1H-pyrazol-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-pyrazol-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-pyrazol-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.