3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid
TL;DR: 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid (CAS 17404-90-9) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-pyrazol-1-ylbenzoic acid
Also Known As: 3-Nitro-4-(1-pyrazolyl)benzoic Acid, null, 3-NITRO-4-(1H-PYRAZOL-1-YL)BENZOIC ACID, 4-Acetylbutyric acid, 3-nitro-4-pyrazol-1-ylbenzoic acid
| Molecular Formula | C10H7N3O4 |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.4787 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.04366 |
| Heavy Atoms | 17 |
| Complexity | 577.2419 |
Chemical Identifiers
| CAS Number | 17404-90-9 |
|---|---|
| SMILES | C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid (CAS 17404-90-9), with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol. IUPAC: 3-nitro-4-pyrazol-1-ylbenzoic acid.
Chemical Property Profile of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid
Property Insights of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid
The XLogP value of 1.4787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-(1H-pyrazol-1-YL)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 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid?
The CAS number of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid is 17404-90-9.
What is the molecular formula of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid?
The molecular formula of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid is C10H7N3O4.
What is the molecular weight of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid?
The molecular weight of 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid is 233.04 g/mol.
Where can I buy 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid?
You can request a quote for 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(1H-pyrazol-1-YL)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.