1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine
TL;DR: 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine (CAS 400749-67-9) is a chemical compound with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
Also Known As: 1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-amine, 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine, 1-[(4-chlorophenyl)methyl]-5-methyl-1h-pyrazol-3-amine, 1-(4-chlorobenzyl)-5-methyl-1h-pyrazol-3-ylamine, 1-[(4-Chlorophenyl)methyl]-5-methyl-pyrazol-3-amine
| Molecular Formula | C11H12ClN3 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.47542 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.07198 |
| Heavy Atoms | 15 |
| Complexity | 459.1853 |
Chemical Identifiers
| CAS Number | 400749-67-9 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=C(C=C2)Cl)N |
Product Overview
1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine (CAS 400749-67-9), with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine.
Chemical Property Profile of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine
Property Insights of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine
The XLogP value of 2.47542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine. With a topological polar surface area (TPSA) of 43.84 Ų, 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-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-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine?
The CAS number of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine is 400749-67-9.
What is the molecular formula of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine?
The molecular formula of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine is C11H12ClN3.
What is the molecular weight of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine?
The molecular weight of 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine is 221.07 g/mol.
Where can I buy 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine?
You can request a quote for 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-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-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Chlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.