4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one
TL;DR: 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one (CAS 338750-79-1) is a chemical compound with molecular formula C6H9N3O and molecular weight 139.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-1H-pyrazol-5-one
Also Known As: 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one, 4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-(dimethylaminomethylidene)-1H-pyrazol-5-one, 4-[(dimethylamino)methylene]-1,2-diazolin-5-one, (4Z)-4-[(dimethylamino)methylidene]-2H-pyrazol-3-one
| Molecular Formula | C6H9N3O |
|---|---|
| Molecular Weight | 139.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.07455 |
| Heavy Atoms | 10 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 338750-79-1 |
|---|---|
| SMILES | CN(C)/C=C\1/C=NNC1=O |
| InChIKey | DKNARJWAYOXLPT-PLNGDYQASA-N |
Product Overview
4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one (CAS 338750-79-1), with molecular formula C6H9N3O and molecular weight 139.07 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-1H-pyrazol-5-one.
Chemical Property Profile of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one
Property Insights of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one
The XLogP value of -0.4 indicates that 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.7 Ų, 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-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-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one?
The CAS number of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one is 338750-79-1.
What is the molecular formula of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one?
The molecular formula of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one is C6H9N3O.
What is the molecular weight of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one?
The molecular weight of 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one is 139.07 g/mol.
Where can I buy 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one?
You can request a quote for 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((Dimethylamino)methylene)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.