5-methyl-4-nitroso-1,2-dihydropyrazol-3-one
TL;DR: 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one (CAS 147738-81-6) is a chemical compound with molecular formula C4H5N3O2 and molecular weight 127.03818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-nitroso-1,2-dihydropyrazol-3-one
Also Known As: 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one, Isonitroso-3-methyl-5-pyrazolon, 3-Methyl-4-oximido-2-pyrazolin-5-one, 3-Methyl-4-oximino-2-pyrazolin-5-one, 1H-Pyrazol-3-ol,5-methyl-4-nitroso-(9CI)
Technical Specifications
| Molecular Formula | C4H5N3O2 |
| Molecular Weight | 127.03818 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.03818 Da |
| Heavy Atoms | 9 |
| Complexity | 196.0 |
| SMILES | CC1=C(C(=O)NN1)N=O |
| InChIKey | CIKULXAROZVBEF-UHFFFAOYSA-N |
Chemical Property Profile of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one
Property Insights of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one
The XLogP value of -0.3 indicates that 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one?
The CAS number of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one is 147738-81-6.
What is the molecular formula of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one?
The molecular formula of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one is C4H5N3O2.
What is the molecular weight of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one?
The molecular weight of 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one is 127.03818 g/mol.
Where can I buy 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one?
You can request a quote for 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-methyl-4-nitroso-1,2-dihydropyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.