1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile
TL;DR: 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile (CAS 151599-40-5) is a chemical compound with molecular formula C5H4N4O2 and molecular weight 152.03343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-nitropyrazole-3-carbonitrile
Also Known As: 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile, 1-methyl-4-nitropyrazole-3-carbonitrile, ZERO/005659, 1-methyl-4-nitro-pyrazole-3-carbonitrile, BAS 00396213
Technical Specifications
| Molecular Formula | C5H4N4O2 |
| Molecular Weight | 152.03343 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.03343 Da |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
| SMILES | CN1C=C(C(=N1)C#N)[N+](=O)[O-] |
| InChIKey | MVTSLZIUHFKPMJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile
Property Insights of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile. Following Lipinski's Rule of Five, 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile 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 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile?
The CAS number of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile is 151599-40-5.
What is the molecular formula of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile?
The molecular formula of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile is C5H4N4O2.
What is the molecular weight of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile?
The molecular weight of 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile is 152.03343 g/mol.
Where can I buy 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile?
You can request a quote for 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.