1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
TL;DR: 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (CAS 14397-32-1) is a chemical compound with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole, 1-acetyl-3-(4-chloro-phenyl)-4,5-dihydro-1H-pyrazole, 4,5-Dihydro-(1H)-pyrazole derivative, 3c, 1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone, AS-662/43471456
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 2.2963 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 411.101 |
Chemical Identifiers
| CAS Number | 14397-32-1 |
|---|---|
| SMILES | CC(=O)N1CCC(=N1)C2=CC=C(C=C2)Cl |
Product Overview
1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (CAS 14397-32-1), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
Property Insights of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
The XLogP value of 2.2963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole. With a topological polar surface area (TPSA) of 32.67 Ų, 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole 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-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The CAS number of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is 14397-32-1.
What is the molecular formula of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is C11H11ClN2O.
What is the molecular weight of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is 222.06 g/mol.
Where can I buy 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.