5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride
TL;DR: 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride (CAS 110763-09-2) is a chemical compound with molecular formula C5H4Cl2N2O and molecular weight 177.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methylpyrazole-4-carbonyl chloride
Also Known As: 5-Chloro-1-Methyl-1H-Pyrazole-4-Carbonyl Chloride, 5-chloro-1-methylpyrazole-4-carbonyl chloride, 1H-Pyrazole-4-carbonylchloride, 5-chloro-1-methyl-, 5-chloro-1-methyl-pyrazole-4-carbonyl chloride, 1H-Pyrazole-4-carbonylchloride,5-chloro-1-methyl
| Molecular Formula | C5H4Cl2N2O |
|---|---|
| Molecular Weight | 177.97 g/mol |
| LogP | 1.4525 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.97006 |
| Heavy Atoms | 10 |
| Complexity | 268.6117 |
Chemical Identifiers
| CAS Number | 110763-09-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)C(=O)Cl)Cl |
Product Overview
5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride (CAS 110763-09-2), with molecular formula C5H4Cl2N2O and molecular weight 177.97 g/mol. IUPAC: 5-chloro-1-methylpyrazole-4-carbonyl chloride.
Chemical Property Profile of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride
Property Insights of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride
The XLogP value of 1.4525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride has 0 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 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride?
The CAS number of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride is 110763-09-2.
What is the molecular formula of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride?
The molecular formula of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride is C5H4Cl2N2O.
What is the molecular weight of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride?
The molecular weight of 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride is 177.97 g/mol.
Where can I buy 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride?
You can request a quote for 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.