![1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid structure](/static/products/1004/1004727-49-4.webp)
1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
TL;DR: 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1004727-49-4) is a chemical compound with molecular formula C7H6N6O4 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid, 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylic Acid, 1-((3-Nitro-1H-1,2,4-triazol-1-yl)methyl)-1H-pyrazole-3-carboxylic acid, 1-[(3-nitro-1,2,4-triazolyl)methyl]pyrazole-3-carboxylic acid, 1-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-1 H -pyrazole-3-carboxylic acid
| Molecular Formula | C7H6N6O4 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | -0.4132 |
| Topological Polar Surface Area | 128.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.04506 |
| Heavy Atoms | 17 |
| Complexity | 522.18585 |
Chemical Identifiers
| CAS Number | 1004727-49-4 |
|---|---|
| SMILES | C1=CN(N=C1C(=O)O)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1004727-49-4), with molecular formula C7H6N6O4 and molecular weight 238.05 g/mol. IUPAC: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
Property Insights of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
The XLogP value of -0.4132 indicates that 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid has 1 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-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is 1004727-49-4.
What is the molecular formula of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is C7H6N6O4.
What is the molecular weight of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is 238.05 g/mol.
Where can I buy 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-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-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.