![4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid structure](/static/products/4007/400752-43-4.webp)
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
TL;DR: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 400752-43-4) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoic acid
Also Known As: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid, 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoic acid, 4-[(3,5-dimethyl-4-nitropyrazolyl)methyl]benzoic acid, 4-(3,5-dimethyl-4-nitropyrazol-1-ylmethyl)benzoic acid, 4-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.15464 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 673.66986 |
Chemical Identifiers
| CAS Number | 400752-43-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)O)C)[N+](=O)[O-] |
Product Overview
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 400752-43-4), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Property Insights of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
The XLogP value of 2.15464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,5-dimethyl-4-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-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(3,5-dimethyl-4-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-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The CAS number of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is 400752-43-4.
What is the molecular formula of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular formula of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is C13H13N3O4.
What is the molecular weight of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular weight of 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is 275.09 g/mol.
Where can I buy 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
You can request a quote for 4-[(3,5-dimethyl-4-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-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.