2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-
TL;DR: 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- (CAS 119-16-4) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(3-nitrophenyl)-4H-pyrazol-3-one
Also Known As: 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-, 3-METHYL-1-(3-NITROPHENYL)-5-PYRAZOLONE, 5-methyl-2-(3-nitrophenyl)-4H-pyrazol-3-one, 1-(3'-Nitrophenyl)-3-methyl-5-pyrazolone, BAS 00004340
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 119-16-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | BNILDNQGLCOHLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- (CAS 119-16-4), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 5-methyl-2-(3-nitrophenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-
Property Insights of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- 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 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-?
The CAS number of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- is 119-16-4.
What is the molecular formula of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-?
The molecular formula of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- is C10H9N3O3.
What is the molecular weight of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-?
The molecular weight of 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- is 219.06 g/mol.
Where can I buy 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-?
You can request a quote for 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.