![4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid structure](/static/products/3459/345952-26-3.webp)
4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
TL;DR: 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 345952-26-3) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
Also Known As: 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid, 4-(5-Methyl-3-nitro-pyrazol-1-ylmethyl)-benzoic acid, BAS 08301904, 4-((5-Methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzoic acid, 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.84622 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 630.9241 |
Chemical Identifiers
| CAS Number | 345952-26-3 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 345952-26-3), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Property Insights of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
The XLogP value of 1.84622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic 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 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The CAS number of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is 345952-26-3.
What is the molecular formula of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular formula of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is C12H11N3O4.
What is the molecular weight of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular weight of 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is 261.07 g/mol.
Where can I buy 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
You can request a quote for 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(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.