3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole
TL;DR: 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole (CAS 5789-38-8) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole
Also Known As: 3,5-dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole, BIM-0006895.P001, 3,5-dimethyl-4-(3-nitrophenyl)-1-phenyl-1H-pyrazole
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 4.06434 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 838.3653 |
Chemical Identifiers
| CAS Number | 5789-38-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole (CAS 5789-38-8), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 3,5-dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole
Property Insights of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole
The XLogP value of 4.06434 indicates that 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole has 0 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 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole?
The CAS number of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole is 5789-38-8.
What is the molecular formula of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole?
The molecular formula of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole is C17H15N3O2.
What is the molecular weight of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole?
The molecular weight of 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole is 293.12 g/mol.
Where can I buy 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole?
You can request a quote for 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-(3-nitrophenyl)-1-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.