4-Benzyl-1-methylpyrazole
TL;DR: 4-Benzyl-1-methylpyrazole (CAS 148873-29-4) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzyl-1-methylpyrazole
Also Known As: 4-benzyl-1-methyl-pyrazole, 4-benzyl-1-methyl-1h-pyrazole
Technical Specifications
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.10005 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 Da |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
| SMILES | CN1C=C(C=N1)CC2=CC=CC=C2 |
| InChIKey | RLCZTAMVKUPDPL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzyl-1-methylpyrazole
Property Insights of 4-Benzyl-1-methylpyrazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-1-methylpyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 4-Benzyl-1-methylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1-methylpyrazole has 0 hydrogen bond donor(s) and 1 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-Benzyl-1-methylpyrazole?
The CAS number of 4-Benzyl-1-methylpyrazole is 148873-29-4.
What is the molecular formula of 4-Benzyl-1-methylpyrazole?
The molecular formula of 4-Benzyl-1-methylpyrazole is C11H12N2.
What is the molecular weight of 4-Benzyl-1-methylpyrazole?
The molecular weight of 4-Benzyl-1-methylpyrazole is 172.10005 g/mol.
Where can I buy 4-Benzyl-1-methylpyrazole?
You can request a quote for 4-Benzyl-1-methylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzyl-1-methylpyrazole?
Yes, CoreyChem provides custom synthesis services for 4-Benzyl-1-methylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.