1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one
TL;DR: 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one (CAS 30672-29-8) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-nitro-2-phenylpyrazol-3-one
Also Known As: 1,5-dimethyl-4-nitro-2-phenylpyrazol-3-one, 1,5-dimethyl-4-nitro-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, AO-080/43441982, 2,3-dimethyl-4-nitro-1-phenyl-3-pyrazolin-5-one, 1,5-dimethyl-4-nitro-2-phenyl-1,2-dihydro-pyrazol-3-one
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 1.39262 |
| Topological Polar Surface Area | 70.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 625.4015 |
Chemical Identifiers
| CAS Number | 30672-29-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one (CAS 30672-29-8), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 1,5-dimethyl-4-nitro-2-phenylpyrazol-3-one.
Chemical Property Profile of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one
Property Insights of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one
The XLogP value of 1.39262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one. The TPSA of 70.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one. Following Lipinski's Rule of Five, 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one 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 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one?
The CAS number of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one is 30672-29-8.
What is the molecular formula of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one?
The molecular formula of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one is C11H11N3O3.
What is the molecular weight of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one?
The molecular weight of 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one is 233.08 g/mol.
Where can I buy 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one?
You can request a quote for 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-4-nitro-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.