1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
TL;DR: 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile (CAS 32183-13-4) is a chemical compound with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-nitropyrazole-5-carbonitrile
Also Known As: 1,3-Dimethyl-4-nitro-1H-pyrazole-5-carbonitrile, 2,5-dimethyl-4-nitropyrazole-3-carbonitrile, 1,3-Dimethyl-4-nitro-5-cyano-pyrazole, 5-cyano-1,3-dimethyl-4-nitropyrazole, 1,3-dimethyl-4-nitropyrazole-5-carbonitrile
| Molecular Formula | C6H6N4O2 |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.04907 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 32183-13-4 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C#N)C |
| InChIKey | HYSDHMFCQHHFGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile (CAS 32183-13-4), with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol. IUPAC: 1,3-dimethyl-4-nitropyrazole-5-carbonitrile.
Chemical Property Profile of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
Property Insights of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile. Following Lipinski's Rule of Five, 1,3-dimethyl-4-nitro-1H-pyrazole-5-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 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile?
The CAS number of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile is 32183-13-4.
What is the molecular formula of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile?
The molecular formula of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile is C6H6N4O2.
What is the molecular weight of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile?
The molecular weight of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile is 166.05 g/mol.
Where can I buy 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile?
You can request a quote for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.