(5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid
TL;DR: (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid (CAS 1001611-09-1) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-methyl-4-nitropyrazol-1-yl)acetic acid
Also Known As: (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid, 2-(5-methyl-4-nitro-pyrazol-1-yl)acetic Acid, 2-(5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid, (5-Methyl-4-nitro-pyrazol-1-yl)-acetic acid, 2-(5-methyl-4-nitropyrazol-1-yl)acetic acid
Technical Specifications
| Molecular Formula | C6H7N3O4 |
| Molecular Weight | 185.04366 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 Da |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
| SMILES | CC1=C(C=NN1CC(=O)O)[N+](=O)[O-] |
| InChIKey | SXPATAJWIBDNQE-UHFFFAOYSA-N |
Chemical Property Profile of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid
Property Insights of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid?
The CAS number of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid is 1001611-09-1.
What is the molecular formula of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid?
The molecular formula of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid is C6H7N3O4.
What is the molecular weight of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid?
The molecular weight of (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid is 185.04366 g/mol.
Where can I buy (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid?
You can request a quote for (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (5-methyl-4-nitro-1H-pyrazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.