1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid (CAS 18213-79-1) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(2-oxohydrazinyl)pyrazole-4-carboxylic acid
Also Known As: 1-methyl-5-(nitrosoamino)-1h-pyrazole-4-carboxylic acid, 1-methyl-5-(2-oxohydrazinyl)pyrazole-4-carboxylic acid, 1-Methyl-5-nitrosamino-4-pyrazolecarboxylic acid, 1-Methyl-5-(2-oxohydrazino)-1H-pyrazole-4-carboxylic acid #, RefChem:231923
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 18213-79-1 |
|---|---|
| SMILES | CN1C(=C(C=N1)C(=O)O)NN=O |
| InChIKey | OQINEQJTMWMLIP-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid (CAS 18213-79-1), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 1-methyl-5-(2-oxohydrazinyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid is 18213-79-1.
What is the molecular formula of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid is C5H6N4O3.
What is the molecular weight of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid is 170.04 g/mol.
Where can I buy 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-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-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(nitrosoamino)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.