4-Nitro-3-phenyl-1H-pyrazole
TL;DR: 4-Nitro-3-phenyl-1H-pyrazole (CAS 38858-96-7) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-5-phenyl-1H-pyrazole
Also Known As: 4-Nitro-3-phenyl-1H-pyrazole, 4-nitro-5-phenyl-1H-pyrazole, 4-nitro-3-phenyl-2H-pyrazole, AJ-696/36100009, RefChem:295018
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.9849 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 450.09045 |
Chemical Identifiers
| CAS Number | 38858-96-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=NN2)[N+](=O)[O-] |
Product Overview
4-Nitro-3-phenyl-1H-pyrazole (CAS 38858-96-7), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 4-nitro-5-phenyl-1H-pyrazole.
Chemical Property Profile of 4-Nitro-3-phenyl-1H-pyrazole
Property Insights of 4-Nitro-3-phenyl-1H-pyrazole
The XLogP value of 1.9849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-phenyl-1H-pyrazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-phenyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-Nitro-3-phenyl-1H-pyrazole 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-Nitro-3-phenyl-1H-pyrazole?
The CAS number of 4-Nitro-3-phenyl-1H-pyrazole is 38858-96-7.
What is the molecular formula of 4-Nitro-3-phenyl-1H-pyrazole?
The molecular formula of 4-Nitro-3-phenyl-1H-pyrazole is C9H7N3O2.
What is the molecular weight of 4-Nitro-3-phenyl-1H-pyrazole?
The molecular weight of 4-Nitro-3-phenyl-1H-pyrazole is 189.05 g/mol.
Where can I buy 4-Nitro-3-phenyl-1H-pyrazole?
You can request a quote for 4-Nitro-3-phenyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.