4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 40864-30-0) 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-4-nitro-2-phenyl-4H-pyrazol-3-one
Also Known As: 5-methyl-4-nitro-2-phenyl-4H-pyrazol-3-one, 1-Phenyl-3-methyl-4-nitro-2-pyrazoline-5-one, 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, J3.261.466C, AE-562/12222306
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.0544 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 469.45743 |
Chemical Identifiers
| CAS Number | 40864-30-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 40864-30-0), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 5-methyl-4-nitro-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.0544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-nitro-5-methyl-2-phenyl-2,4-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 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 40864-30-0.
What is the molecular formula of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C10H9N3O3.
What is the molecular weight of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 219.06 g/mol.
Where can I buy 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-nitro-5-methyl-2-phenyl-2,4-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 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.