![2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid structure](/static/products/100/1004194-55-1.webp)
2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
TL;DR: 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 1004194-55-1) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
Also Known As: 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid, 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid, 2-[(5-methyl-3-nitropyrazolyl)methyl]benzoic acid, 2-(5-Methyl-3-nitro-pyrazol-1-ylmethyl)-benzoic acid, 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic Acid
Technical Specifications
| Molecular Formula | C12H11N3O4 |
| Molecular Weight | 261.07495 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.07495 Da |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
| SMILES | CC1=CC(=NN1CC2=CC=CC=C2C(=O)O)[N+](=O)[O-] |
| InChIKey | BIOOMQZEIOGAFN-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Property Insights of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic 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 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The CAS number of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is 1004194-55-1.
What is the molecular formula of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular formula of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is C12H11N3O4.
What is the molecular weight of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular weight of 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is 261.07495 g/mol.
Where can I buy 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
You can request a quote for 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.