![4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/1164/1164564-44-6.webp)
4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 1164564-44-6) is a chemical compound with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Also Known As: 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-(dimethylaminomethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, (4Z)-4-[(dimethylamino)methylidene]-3-methyl-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one, (4Z)-4-(dimethylaminomethylene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, 3H-pyrazol-3-one, 4-[(dimethylamino)methylene]-2,4-dihydro-5-methyl-2-(4-nitrophenyl)-, (4Z)-
| Molecular Formula | C13H14N4O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 1.7628 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.1066 |
| Heavy Atoms | 20 |
| Complexity | 617.00836 |
Chemical Identifiers
| CAS Number | 1164564-44-6 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\N(C)C)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 1164564-44-6), with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.7628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 5 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]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is 1164564-44-6.
What is the molecular formula of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is C13H14N4O3.
What is the molecular weight of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one is 274.11 g/mol.
Where can I buy 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-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 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(dimethylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.