1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one
TL;DR: 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one (CAS 89923-77-3) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Also Known As: 1-ethyl-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, 1-ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one, 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3(2H)-one, 3H-Pyrazol-3-one,1-ethyl-1,2-dihydro-5-methyl-2-(4-nitrophenyl)-
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 89923-77-3 |
|---|---|
| SMILES | CCN1C(=CC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | GAIPWDYZJUSNKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one (CAS 89923-77-3), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 1-ethyl-5-methyl-2-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one
Property Insights of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one. Following Lipinski's Rule of Five, 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one 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 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one?
The CAS number of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one is 89923-77-3.
What is the molecular formula of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one?
The molecular formula of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one is C12H13N3O3.
What is the molecular weight of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one?
The molecular weight of 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one is 247.10 g/mol.
Where can I buy 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one?
You can request a quote for 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-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 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.