(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone
TL;DR: (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone (CAS 360784-48-1) is a chemical compound with molecular formula C12H9BrClN3O3 and molecular weight 356.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chloro-3-nitrophenyl)methanone
Also Known As: (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone, (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chloro-3-nitrophenyl)methanone, A2469/0104856, 4-bromo-1-{4-chloro-3-nitrobenzoyl}-3,5-dimethyl-1H-pyrazole, 4-bromo-3,5-dimethylpyrazolyl 4-chloro-3-nitrophenyl ketone
| Molecular Formula | C12H9BrClN3O3 |
|---|---|
| Molecular Weight | 356.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.95157 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 360784-48-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)Br |
| InChIKey | KRAFTFBXSUBSTL-UHFFFAOYSA-N |
Product Overview
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone (CAS 360784-48-1), with molecular formula C12H9BrClN3O3 and molecular weight 356.95 g/mol. IUPAC: (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chloro-3-nitrophenyl)methanone.
Chemical Property Profile of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone
Property Insights of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone
The XLogP value of 3.7 indicates that (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 4 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-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone?
The CAS number of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone is 360784-48-1.
What is the molecular formula of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone?
The molecular formula of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone is C12H9BrClN3O3.
What is the molecular weight of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone?
The molecular weight of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone is 356.95 g/mol.
Where can I buy (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone?
You can request a quote for (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(4-chloro-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.