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4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-45-4) 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.
4-(hydroxyiminomethyl)-3-methyl-1,4-dihydropyrazol-5-one
Also Known As: 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one, 3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde oxime, 4-(hydroxyiminomethyl)-3-methyl-1,4-dihydropyrazol-5-one, 4-(hydroxyiminomethyl)-5-methyl-2,4-dihydropyrazol-3-one, 1H-Pyrazole-4-carboxaldehyde, 4,5-dihydro-3-methyl-5-oxo-, 4-oxime (9CI)
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -0.4317 |
| Topological Polar Surface Area | 74.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 208.9386 |
Chemical Identifiers
| CAS Number | 338975-45-4 |
|---|---|
| SMILES | CC1=NNC(=O)C1C=NO |
Product Overview
4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 338975-45-4), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 4-(hydroxyiminomethyl)-3-methyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of -0.4317 indicates that 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one. Following Lipinski's Rule of Five, 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-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
Frequently Asked Questions
What is the CAS number of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is 338975-45-4.
What is the molecular formula of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is C5H7N3O2.
What is the molecular weight of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one is 141.05 g/mol.
Where can I buy 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 4-[(hydroxyimino)methyl]-3-methyl-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)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(hydroxyimino)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.