3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
TL;DR: 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 701221-57-0) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid
Also Known As: 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid, BAS 08935796, 3-(5-oxo-3-propyl-2-pyrazolinyl)benzoic acid, 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoicacid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.2776 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 522.7226 |
Chemical Identifiers
| CAS Number | 701221-57-0 |
|---|---|
| SMILES | CCCC1=NN(C(=O)C1)C2=CC=CC(=C2)C(=O)O |
Product Overview
3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 701221-57-0), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid.
Chemical Property Profile of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Property Insights of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 2.2776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid has 1 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 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 701221-57-0.
What is the molecular formula of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is C13H14N2O3.
What is the molecular weight of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 246.10 g/mol.
Where can I buy 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 3-(5-oxo-3-propyl-4,5-dihydro-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-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.