4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one
TL;DR: 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one (CAS 400075-13-0) is a chemical compound with molecular formula C15H10ClN3O3 and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one
Also Known As: 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one, 11E-441S, 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one, 4-(3-chlorophenyl)-2-(3-nitrophenyl)-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C15H10ClN3O3 |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 3.3942 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.04108 |
| Heavy Atoms | 22 |
| Complexity | 914.1462 |
Chemical Identifiers
| CAS Number | 400075-13-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=CNN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one (CAS 400075-13-0), with molecular formula C15H10ClN3O3 and molecular weight 315.04 g/mol. IUPAC: 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one
Property Insights of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one
The XLogP value of 3.3942 indicates that 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-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 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one?
The CAS number of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one is 400075-13-0.
What is the molecular formula of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one?
The molecular formula of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one is C15H10ClN3O3.
What is the molecular weight of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one?
The molecular weight of 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one is 315.04 g/mol.
Where can I buy 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one?
You can request a quote for 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorophenyl)-2-(3-nitrophenyl)-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.