3-(Chloromethyl)-1-methyl-1H-pyrazole
TL;DR: 3-(Chloromethyl)-1-methyl-1H-pyrazole (CAS 84547-64-8) is a chemical compound with molecular formula C5H7ClN2 and molecular weight 130.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1-methylpyrazole
Also Known As: 3-(CHLOROMETHYL)-1-METHYL-1H-PYRAZOLE, 3-(chloromethyl)-1-methylpyrazole, 3-chloromethyl-1-methylpyrazole, 1-methyl-5-pyrazolylmethyl chloride, 1H-Pyrazole, 3-(chloromethyl)-1-methyl-
| Molecular Formula | C5H7ClN2 |
|---|---|
| Molecular Weight | 130.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.02977 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 84547-64-8 |
|---|---|
| SMILES | CN1C=CC(=N1)CCl |
| InChIKey | DHOBZYGMEYEAEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chloromethyl)-1-methyl-1H-pyrazole (CAS 84547-64-8), with molecular formula C5H7ClN2 and molecular weight 130.03 g/mol. IUPAC: 3-(chloromethyl)-1-methylpyrazole.
Chemical Property Profile of 3-(Chloromethyl)-1-methyl-1H-pyrazole
Property Insights of 3-(Chloromethyl)-1-methyl-1H-pyrazole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-1-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 3-(Chloromethyl)-1-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-1-methyl-1H-pyrazole has 0 hydrogen bond donor(s) and 1 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 3-(Chloromethyl)-1-methyl-1H-pyrazole?
The CAS number of 3-(Chloromethyl)-1-methyl-1H-pyrazole is 84547-64-8.
What is the molecular formula of 3-(Chloromethyl)-1-methyl-1H-pyrazole?
The molecular formula of 3-(Chloromethyl)-1-methyl-1H-pyrazole is C5H7ClN2.
What is the molecular weight of 3-(Chloromethyl)-1-methyl-1H-pyrazole?
The molecular weight of 3-(Chloromethyl)-1-methyl-1H-pyrazole is 130.03 g/mol.
Where can I buy 3-(Chloromethyl)-1-methyl-1H-pyrazole?
You can request a quote for 3-(Chloromethyl)-1-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-1-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-1-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.