1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one
TL;DR: 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one (CAS 66776-82-7) is a chemical compound with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide
Also Known As: 1-(3-CHLOROPHENYL)-3-METHACRYLAMIDO-2-PYRAZOLIN-5-ONE, N-(1-(3-Chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)methacrylamide, N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]-2-methyl-prop-2-enamide, N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide, N-[1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-2-methylprop-2-enamide
| Molecular Formula | C13H12ClN3O2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.0825 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0618 |
| Heavy Atoms | 19 |
| Complexity | 595.306 |
Chemical Identifiers
| CAS Number | 66776-82-7 |
|---|---|
| SMILES | CC(=C)C(=O)NC1=NN(C(=O)C1)C2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one (CAS 66776-82-7), with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol. IUPAC: N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]-2-methylprop-2-enamide.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one
Property Insights of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one
The XLogP value of 2.0825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one has 1 hydrogen bond donor(s) and 3 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-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one?
The CAS number of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one is 66776-82-7.
What is the molecular formula of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one?
The molecular formula of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one is C13H12ClN3O2.
What is the molecular weight of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one?
The molecular weight of 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one is 277.06 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one?
You can request a quote for 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.