3,5-Dimethyl-4-iodo-1H-pyrazole
TL;DR: 3,5-Dimethyl-4-iodo-1H-pyrazole (CAS 2033-45-6) is a chemical compound with molecular formula C5H7IN2 and molecular weight 221.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-3,5-dimethyl-1H-pyrazole
Also Known As: 3,5-Dimethyl-4-iodopyrazole, 4-iodo-3,5-dimethyl-1H-pyrazole, 4-Iodo-3,5-dimethylpyrazole, null, 3,5-Dimethyl-4-iodo-1H-pyrazole
| Molecular Formula | C5H7IN2 |
|---|---|
| Molecular Weight | 221.97 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.9654 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 2033-45-6 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)I |
| InChIKey | MZZXIXHKDJNBJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-iodo-1H-pyrazole (CAS 2033-45-6), with molecular formula C5H7IN2 and molecular weight 221.97 g/mol. IUPAC: 4-iodo-3,5-dimethyl-1H-pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-iodo-1H-pyrazole
Property Insights of 3,5-Dimethyl-4-iodo-1H-pyrazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-iodo-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3,5-Dimethyl-4-iodo-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-iodo-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 3,5-Dimethyl-4-iodo-1H-pyrazole?
The CAS number of 3,5-Dimethyl-4-iodo-1H-pyrazole is 2033-45-6.
What is the molecular formula of 3,5-Dimethyl-4-iodo-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-4-iodo-1H-pyrazole is C5H7IN2.
What is the molecular weight of 3,5-Dimethyl-4-iodo-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-4-iodo-1H-pyrazole is 221.97 g/mol.
Where can I buy 3,5-Dimethyl-4-iodo-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-4-iodo-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-iodo-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-iodo-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.