![3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid structure](/static/products/3867/386705-82-4.webp)
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
TL;DR: 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 386705-82-4) is a chemical compound with molecular formula C13H13ClN2O2 and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
Also Known As: 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid, 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid, 3-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-benzoic acid, 3-[(4-chloro-3,5-dimethylpyrazolyl)methyl]benzoic acid, 3-((4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
| Molecular Formula | C13H13ClN2O2 |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 2.89984 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.06656 |
| Heavy Atoms | 18 |
| Complexity | 605.0339 |
Chemical Identifiers
| CAS Number | 386705-82-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)O)C)Cl |
Product Overview
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 386705-82-4), with molecular formula C13H13ClN2O2 and molecular weight 264.07 g/mol. IUPAC: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
Property Insights of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
The XLogP value of 2.89984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 2 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-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
The CAS number of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is 386705-82-4.
What is the molecular formula of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular formula of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is C13H13ClN2O2.
What is the molecular weight of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular weight of 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is 264.07 g/mol.
Where can I buy 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
You can request a quote for 3-[(4-chloro-3,5-dimethyl-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 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.