1-methyl-3-nitro-1H-pyrazole-4-carbonitrile
TL;DR: 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile (CAS 39205-64-6) is a chemical compound with molecular formula C5H4N4O2 and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitropyrazole-4-carbonitrile
Also Known As: 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile, 1-methyl-3-nitropyrazole-4-carbonitrile, 1-methyl-3-nitro-4-cyanopyrazole, ZERO/006200, 1-methyl-3-nitro-4-pyrazolecarbonitrile
| Molecular Formula | C5H4N4O2 |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 0.19998 |
| Topological Polar Surface Area | 84.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.03343 |
| Heavy Atoms | 11 |
| Complexity | 334.74188 |
Chemical Identifiers
| CAS Number | 39205-64-6 |
|---|---|
| SMILES | CN1C=C(C(=N1)[N+](=O)[O-])C#N |
Product Overview
1-methyl-3-nitro-1H-pyrazole-4-carbonitrile (CAS 39205-64-6), with molecular formula C5H4N4O2 and molecular weight 152.03 g/mol. IUPAC: 1-methyl-3-nitropyrazole-4-carbonitrile.
Chemical Property Profile of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile
Property Insights of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile
The XLogP value of 0.19998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile. The TPSA of 84.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 1-methyl-3-nitro-1H-pyrazole-4-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
Frequently Asked Questions
What is the CAS number of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile?
The CAS number of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile is 39205-64-6.
What is the molecular formula of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile?
The molecular formula of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile is C5H4N4O2.
What is the molecular weight of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile?
The molecular weight of 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile is 152.03 g/mol.
Where can I buy 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile?
You can request a quote for 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-nitro-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.