4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one (CAS 62349-55-7) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-nitroso-1H-pyrazol-3-one
Also Known As: 2,5-dimethyl-4-nitroso-1H-pyrazol-3-one, 4-(hydroxyimino)-2,5-dimethylpyrazol-3-one, 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 1H-Pyrazole-4,5-dione, 1,3-dimethyl-, 4-oxime, (Z)-, 2,5-dimethyl-2H-pyrazole-3,4-dione 4-oxime
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | 0.41972 |
| Topological Polar Surface Area | 67.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 309.18323 |
Chemical Identifiers
| CAS Number | 62349-55-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C)N=O |
Product Overview
4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one (CAS 62349-55-7), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 2,5-dimethyl-4-nitroso-1H-pyrazol-3-one.
Chemical Property Profile of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 0.41972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one. The TPSA of 67.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one. Following Lipinski's Rule of Five, 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one has 1 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 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one is 62349-55-7.
What is the molecular formula of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one is C5H7N3O2.
What is the molecular weight of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one is 141.05 g/mol.
Where can I buy 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxyimino-1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.