1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid
TL;DR: 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 3920-37-4) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-nitropyrazole-5-carboxylic acid
Also Known As: 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid, Sildenafil Impurity 238, 2,5-dimethyl-4-nitropyrazole-3-carboxylic acid, 2-Fluoro-6-methoxybenzonitrile, ZERO/001847
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.33492 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 346.97623 |
Chemical Identifiers
| CAS Number | 3920-37-4 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C |
Product Overview
1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 3920-37-4), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: 1,3-dimethyl-4-nitropyrazole-5-carboxylic acid.
Chemical Property Profile of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid
Property Insights of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.33492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid has 1 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-carboxylic acid?
The CAS number of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid is 3920-37-4.
What is the molecular formula of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid is C6H7N3O4.
What is the molecular weight of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid is 185.04 g/mol.
Where can I buy 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid 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-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.