3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one
TL;DR: 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one (CAS 1005632-52-9) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methylpyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Also Known As: 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one, 3-(1-methylpyrazol-4-yl)-2-nitro-1-phenyl-prop-2-en-1-one, 3-(1-methylpyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one, 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Technical Specifications
| Molecular Formula | C13H11N3O3 |
| Molecular Weight | 257.08005 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.08005 Da |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
| SMILES | CN1C=C(C=N1)C=C(C(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | BKAZAFBUAJQURM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one
Property Insights of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one. Following Lipinski's Rule of Five, 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one?
The CAS number of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one is 1005632-52-9.
What is the molecular formula of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one?
The molecular formula of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one is C13H11N3O3.
What is the molecular weight of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one?
The molecular weight of 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one is 257.08005 g/mol.
Where can I buy 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one?
You can request a quote for 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(1-Methyl-1H-pyrazol-4-yl)-2-nitro-1-phenyl-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.