5-(2-chloroethyl)-1H-pyrazole
TL;DR: 5-(2-chloroethyl)-1H-pyrazole (CAS 69658-98-6) 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.
5-(2-chloroethyl)-1H-pyrazole
Also Known As: 5-(2-chloroethyl)-1H-pyrazole, beta-chloroethylpyrazole, 3-(2-chloroethyl)-pyrazole, 3-(2-Chloroethyl)pyrazole, 3-(2-chloroethyl)-1H-pyrazole
| Molecular Formula | C5H7ClN2 |
|---|---|
| Molecular Weight | 130.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.02977 |
| Heavy Atoms | 8 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 69658-98-6 |
|---|---|
| SMILES | C1=C(NN=C1)CCCl |
| InChIKey | JIKDVDUXKFVJKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-chloroethyl)-1H-pyrazole (CAS 69658-98-6), with molecular formula C5H7ClN2 and molecular weight 130.03 g/mol. IUPAC: 5-(2-chloroethyl)-1H-pyrazole.
Chemical Property Profile of 5-(2-chloroethyl)-1H-pyrazole
Property Insights of 5-(2-chloroethyl)-1H-pyrazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-chloroethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-(2-chloroethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-chloroethyl)-1H-pyrazole has 1 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 5-(2-chloroethyl)-1H-pyrazole?
The CAS number of 5-(2-chloroethyl)-1H-pyrazole is 69658-98-6.
What is the molecular formula of 5-(2-chloroethyl)-1H-pyrazole?
The molecular formula of 5-(2-chloroethyl)-1H-pyrazole is C5H7ClN2.
What is the molecular weight of 5-(2-chloroethyl)-1H-pyrazole?
The molecular weight of 5-(2-chloroethyl)-1H-pyrazole is 130.03 g/mol.
Where can I buy 5-(2-chloroethyl)-1H-pyrazole?
You can request a quote for 5-(2-chloroethyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-chloroethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chloroethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.