5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one
TL;DR: 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one (CAS 61885-21-0) is a chemical compound with molecular formula C4H5N3O3 and molecular weight 143.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-1,2-dihydropyrazol-3-one
Also Known As: 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one, 5-methyl-4-nitro-1,2-dihydropyrazol-3-one, 5-METHYL-4-NITRO-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, 5-Methyl-4-nitro-1h-pyrazol-3(2h)-one, 1,2-dihydro-5-methyl-4-nitropyrazol-3-one
| Molecular Formula | C4H5N3O3 |
|---|---|
| Molecular Weight | 143.03 g/mol |
| LogP | -0.08038 |
| Topological Polar Surface Area | 91.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0331 |
| Heavy Atoms | 10 |
| Complexity | 309.79288 |
Chemical Identifiers
| CAS Number | 61885-21-0 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)[N+](=O)[O-] |
Product Overview
5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one (CAS 61885-21-0), with molecular formula C4H5N3O3 and molecular weight 143.03 g/mol. IUPAC: 5-methyl-4-nitro-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one
Property Insights of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one
The XLogP value of -0.08038 indicates that 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one has 2 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 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one?
The CAS number of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one is 61885-21-0.
What is the molecular formula of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one?
The molecular formula of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one is C4H5N3O3.
What is the molecular weight of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one?
The molecular weight of 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one is 143.03 g/mol.
Where can I buy 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one?
You can request a quote for 5-methyl-4-nitro-2,3-dihydro-1H-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 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.