4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine
TL;DR: 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine (CAS 957006-05-2) 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.
4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-amine
Also Known As: 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine, 4-chloro-1-[(3-methylphenyl)methyl]-1h-pyrazol-3-amine, 4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-amine, 4-chloro-1-(m-tolylmethyl)pyrazol-3-amine, 4-Chloro-1-(3-methyl-benzyl)-1H-pyrazol-3-ylamine
| 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 | 456.9353 |
Chemical Identifiers
| CAS Number | 957006-05-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C(=N2)N)Cl |
Product Overview
4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine (CAS 957006-05-2), with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol. IUPAC: 4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-amine.
Chemical Property Profile of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine
Property Insights of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine
The XLogP value of 2.47542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine. With a topological polar surface area (TPSA) of 43.84 Ų, 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1-(3-methylbenzyl)-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 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine?
The CAS number of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine is 957006-05-2.
What is the molecular formula of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine?
The molecular formula of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine is C11H12ClN3.
What is the molecular weight of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine?
The molecular weight of 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine is 221.07 g/mol.
Where can I buy 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine?
You can request a quote for 4-chloro-1-(3-methylbenzyl)-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 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-(3-methylbenzyl)-1H-pyrazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.