![1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine structure](/static/products/957/957490-92-5.png)
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
TL;DR: 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine (CAS 957490-92-5) 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-[(4-chloropyrazol-1-yl)methyl]phenyl]methanamine
Also Known As: ZERO/004952, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, [4-[(4-chloropyrazol-1-yl)methyl]phenyl]methanamine, J3.432.539A, (4-((4-Chloro-1H-pyrazol-1-yl)methyl)phenyl)methanamine
| Molecular Formula | C11H12ClN3 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.0435 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.07198 |
| Heavy Atoms | 15 |
| Complexity | 433.3486 |
Chemical Identifiers
| CAS Number | 957490-92-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN)CN2C=C(C=N2)Cl |
Product Overview
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine (CAS 957490-92-5), with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol. IUPAC: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]methanamine.
Chemical Property Profile of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
Property Insights of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
The XLogP value of 2.0435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine. With a topological polar surface area (TPSA) of 43.84 Ų, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine 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-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine?
The CAS number of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine is 957490-92-5.
What is the molecular formula of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine?
The molecular formula of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine is C11H12ClN3.
What is the molecular weight of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine?
The molecular weight of 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine is 221.07 g/mol.
Where can I buy 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine?
You can request a quote for 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.