1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
TL;DR: 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS 512809-93-7) is a chemical compound with molecular formula C12H13ClFN3 and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
Also Known As: 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine, 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine, 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine, Pyrazol-4-amine, 1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-, 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-amine
| Molecular Formula | C12H13ClFN3 |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0782 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 512809-93-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)N |
| InChIKey | VIZPWFGIFXOESP-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS 512809-93-7), with molecular formula C12H13ClFN3 and molecular weight 253.08 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.
Chemical Property Profile of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
Property Insights of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine. With a topological polar surface area (TPSA) of 43.8 Ų, 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine has 1 hydrogen bond donor(s) and 3 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-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The CAS number of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is 512809-93-7.
What is the molecular formula of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The molecular formula of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is C12H13ClFN3.
What is the molecular weight of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The molecular weight of 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is 253.08 g/mol.
Where can I buy 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
You can request a quote for 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.