1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
TL;DR: 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride (CAS 864068-95-1) is a chemical compound with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenylpyrazole-5-carbonyl chloride
Also Known As: 1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE, 2-methyl-5-phenylpyrazole-3-carbonyl chloride, 1-methyl-3-phenylpyrazole-5-carbonyl chloride, 1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl-, 2-methyl-5-phenyl-pyrazole-3-carbonyl chloride
| Molecular Formula | C11H9ClN2O |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 2.4661 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04034 |
| Heavy Atoms | 15 |
| Complexity | 490.54395 |
Chemical Identifiers
| CAS Number | 864068-95-1 |
|---|---|
| SMILES | CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)Cl |
Product Overview
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride (CAS 864068-95-1), with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol. IUPAC: 1-methyl-3-phenylpyrazole-5-carbonyl chloride.
Chemical Property Profile of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
Property Insights of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
The XLogP value of 2.4661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-phenyl-1H-pyrazole-5-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-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride?
The CAS number of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride is 864068-95-1.
What is the molecular formula of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride?
The molecular formula of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride is C11H9ClN2O.
What is the molecular weight of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride?
The molecular weight of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride is 220.04 g/mol.
Where can I buy 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride?
You can request a quote for 1-Methyl-3-phenyl-1H-pyrazole-5-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-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.