(3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
TL;DR: (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one (CAS 1004643-50-8) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one
Also Known As: 4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one, 4-Dimethylamino-3-(4-nitro-pyrazol-1-yl)-but-3-en-2-one, 4-(Dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)-3-buten-2-one, 4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one, (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 0.7403 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 447.3615 |
Chemical Identifiers
| CAS Number | 1004643-50-8 |
|---|---|
| SMILES | CC(=O)C(=CN(C)C)N1C=C(C=N1)[N+](=O)[O-] |
Product Overview
(3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one (CAS 1004643-50-8), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one.
Chemical Property Profile of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
Property Insights of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one
The XLogP value of 0.7403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one. Following Lipinski's Rule of Five, (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-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 (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one?
The CAS number of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one is 1004643-50-8.
What is the molecular formula of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one?
The molecular formula of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one is C9H12N4O3.
What is the molecular weight of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one?
The molecular weight of (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one is 224.09 g/mol.
Where can I buy (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one?
You can request a quote for (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.