4-(1H-pyrazol-1-ylmethyl)aniline
TL;DR: 4-(1H-pyrazol-1-ylmethyl)aniline (CAS 1158463-71-8) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(pyrazol-1-ylmethyl)aniline
Also Known As: 4-(1H-pyrazol-1-ylmethyl)aniline, 4-((1h-pyrazol-1-yl)methyl)aniline, 4-(pyrazol-1-ylmethyl)aniline, pyrazolylmethylaniline, 4-[(1-Pyrazolyl)methyl]aniline
Technical Specifications
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.09529 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.09529 Da |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
| SMILES | C1=CN(N=C1)CC2=CC=C(C=C2)N |
| InChIKey | ISRYTHBRUSOVAB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1H-pyrazol-1-ylmethyl)aniline
Property Insights of 4-(1H-pyrazol-1-ylmethyl)aniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-pyrazol-1-ylmethyl)aniline. With a topological polar surface area (TPSA) of 43.8 Ų, 4-(1H-pyrazol-1-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-pyrazol-1-ylmethyl)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 4-(1H-pyrazol-1-ylmethyl)aniline?
The CAS number of 4-(1H-pyrazol-1-ylmethyl)aniline is 1158463-71-8.
What is the molecular formula of 4-(1H-pyrazol-1-ylmethyl)aniline?
The molecular formula of 4-(1H-pyrazol-1-ylmethyl)aniline is C10H11N3.
What is the molecular weight of 4-(1H-pyrazol-1-ylmethyl)aniline?
The molecular weight of 4-(1H-pyrazol-1-ylmethyl)aniline is 173.09529 g/mol.
Where can I buy 4-(1H-pyrazol-1-ylmethyl)aniline?
You can request a quote for 4-(1H-pyrazol-1-ylmethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1H-pyrazol-1-ylmethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(1H-pyrazol-1-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.