4-(1H-Pyrazol-1-yl)aniline
TL;DR: 4-(1H-Pyrazol-1-yl)aniline (CAS 17635-45-9) 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.
4-pyrazol-1-ylaniline
Also Known As: 4-(1H-Pyrazol-1-yl)aniline, 4-pyrazol-1-yl-phenylamine, 4-pyrazol-1-ylaniline, 4-(1-pyrazolyl)aniline, maltopentaose
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 17635-45-9 |
|---|---|
| SMILES | C1=CN(N=C1)C2=CC=C(C=C2)N |
| InChIKey | CSFIQHZIFKIQNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1H-Pyrazol-1-yl)aniline (CAS 17635-45-9), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 4-pyrazol-1-ylaniline.
Chemical Property Profile of 4-(1H-Pyrazol-1-yl)aniline
Property Insights of 4-(1H-Pyrazol-1-yl)aniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Pyrazol-1-yl)aniline. With a topological polar surface area (TPSA) of 43.8 Ų, 4-(1H-Pyrazol-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(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 4-(1H-Pyrazol-1-yl)aniline?
The CAS number of 4-(1H-Pyrazol-1-yl)aniline is 17635-45-9.
What is the molecular formula of 4-(1H-Pyrazol-1-yl)aniline?
The molecular formula of 4-(1H-Pyrazol-1-yl)aniline is C9H9N3.
What is the molecular weight of 4-(1H-Pyrazol-1-yl)aniline?
The molecular weight of 4-(1H-Pyrazol-1-yl)aniline is 159.08 g/mol.
Where can I buy 4-(1H-Pyrazol-1-yl)aniline?
You can request a quote for 4-(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 4-(1H-Pyrazol-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Pyrazol-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.