1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole (CAS 908228-44-4) is a chemical compound with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole
Also Known As: 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole, N-(2-chlorobenzyl)-3,5-dimethylpyrazole, 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole, 1H-Pyrazole, 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-
| Molecular Formula | C12H13ClN2 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07672 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 908228-44-4 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=CC=C2Cl)C |
| InChIKey | PXPUTDXELSBHAY-UHFFFAOYSA-N |
Product Overview
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole (CAS 908228-44-4), with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole.
Chemical Property Profile of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.3 indicates that 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole 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
Frequently Asked Questions
What is the CAS number of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole is 908228-44-4.
What is the molecular formula of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole is C12H13ClN2.
What is the molecular weight of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole is 220.08 g/mol.
Where can I buy 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.