![4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid structure](/static/products/100/1004193-71-8.png)
4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
TL;DR: 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid (CAS 1004193-71-8) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methylpyrazole-4-carbonyl)amino]benzoic acid
Also Known As: 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid, 4-(1-methyl-1H-pyrazole-4-amido)benzoic acid, 4-[(1-methylpyrazole-4-carbonyl)amino]benzoic Acid, 4-[(1-methylpyrazol-4-yl)carbonylamino]benzoic acid, 4-([(1-Methyl-1H-pyrazol-4-yl)carbonyl]amino)benzoic acid
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.3706 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 586.87006 |
Chemical Identifiers
| CAS Number | 1004193-71-8 |
|---|---|
| SMILES | CN1C=C(C=N1)C(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid (CAS 1004193-71-8), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 4-[(1-methylpyrazole-4-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
Property Insights of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
The XLogP value of 1.3706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid?
The CAS number of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid is 1004193-71-8.
What is the molecular formula of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid?
The molecular formula of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid is C12H11N3O3.
What is the molecular weight of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid?
The molecular weight of 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid is 245.08 g/mol.
Where can I buy 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid?
You can request a quote for 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}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-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.