1-ethyl-1H-pyrazole-4-carbonyl chloride
TL;DR: 1-ethyl-1H-pyrazole-4-carbonyl chloride (CAS 175136-82-0) is a chemical compound with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylpyrazole-4-carbonyl chloride
Also Known As: 1-ethyl-1H-pyrazole-4-carbonyl chloride, 1-ethylpyrazole-4-carbonyl chloride, 1-vinyl-4-pyrazolecarboxylic acid, 1-ethyl-1H-pyrazole-4-carbonylchloride, 1H-pyrazole-4-carbonyl chloride, 1-ethyl-
| Molecular Formula | C6H7ClN2O |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 1.282 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.02469 |
| Heavy Atoms | 10 |
| Complexity | 243.65079 |
Chemical Identifiers
| CAS Number | 175136-82-0 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)Cl |
Product Overview
1-ethyl-1H-pyrazole-4-carbonyl chloride (CAS 175136-82-0), with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol. IUPAC: 1-ethylpyrazole-4-carbonyl chloride.
Chemical Property Profile of 1-ethyl-1H-pyrazole-4-carbonyl chloride
Property Insights of 1-ethyl-1H-pyrazole-4-carbonyl chloride
The XLogP value of 1.282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-1H-pyrazole-4-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 1-ethyl-1H-pyrazole-4-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-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 1-ethyl-1H-pyrazole-4-carbonyl chloride?
The CAS number of 1-ethyl-1H-pyrazole-4-carbonyl chloride is 175136-82-0.
What is the molecular formula of 1-ethyl-1H-pyrazole-4-carbonyl chloride?
The molecular formula of 1-ethyl-1H-pyrazole-4-carbonyl chloride is C6H7ClN2O.
What is the molecular weight of 1-ethyl-1H-pyrazole-4-carbonyl chloride?
The molecular weight of 1-ethyl-1H-pyrazole-4-carbonyl chloride is 158.02 g/mol.
Where can I buy 1-ethyl-1H-pyrazole-4-carbonyl chloride?
You can request a quote for 1-ethyl-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 1-ethyl-1H-pyrazole-4-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-1H-pyrazole-4-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.