1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
TL;DR: 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS 400749-72-6) is a chemical compound with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
Also Known As: 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine, 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine, 1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine, 1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine, Pyrazol-4-amine, 1-(4-chlorobenzyl)-3,5-dimethyl-
| Molecular Formula | C12H14ClN3 |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08763 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 400749-72-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)N |
| InChIKey | UIVQOUVTCNRONU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS 400749-72-6), with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine.
Chemical Property Profile of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
Property Insights of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine. With a topological polar surface area (TPSA) of 43.8 Ų, 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine 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
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The CAS number of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is 400749-72-6.
What is the molecular formula of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The molecular formula of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is C12H14ClN3.
What is the molecular weight of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The molecular weight of 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine is 235.09 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
You can request a quote for 1-(4-Chlorobenzyl)-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-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.