![3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline structure](/static/products/118/1185338-03-7.webp)
3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline
TL;DR: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline (CAS 1185338-03-7) is a chemical compound with molecular formula C10H10ClN3 and molecular weight 207.05632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chloropyrazol-1-yl)methyl]aniline
Also Known As: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline, 3-((4-Chloro-1H-pyrazol-1-yl)methyl)aniline, 3-[(4-chloropyrazol-1-yl)methyl]aniline, 3-(4-Chloro-pyrazol-1-ylmethyl)-phenylamine, (3-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl)amine
Technical Specifications
| Molecular Formula | C10H10ClN3 |
| Molecular Weight | 207.05632 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05632 Da |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
| SMILES | C1=CC(=CC(=C1)N)CN2C=C(C=N2)Cl |
| InChIKey | XGPQLTNNMJBPOQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline
Property Insights of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline. With a topological polar surface area (TPSA) of 43.8 Ų, 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chloro-1H-pyrazol-1-yl)methyl]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
What is the CAS number of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline?
The CAS number of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline is 1185338-03-7.
What is the molecular formula of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline?
The molecular formula of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline is C10H10ClN3.
What is the molecular weight of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline?
The molecular weight of 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline is 207.05632 g/mol.
Where can I buy 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline?
You can request a quote for 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline?
Yes, CoreyChem provides custom synthesis services for 3-[(4-chloro-1H-pyrazol-1-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.