![Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- structure](/static/products/824/824431-10-9.png)
Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-
TL;DR: Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- (CAS 824431-10-9) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid
Also Known As: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic Acid, Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-, 4-(((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)amino)benzoic acid, 4-{[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}benzoic acid, 4-((3,5-Dimethyl-1H-pyrazol-1-yl)methylamino)benzoic acid
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.26774 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 558.11536 |
Chemical Identifiers
| CAS Number | 824431-10-9 |
|---|---|
| SMILES | CC1=CC(=NN1CNC2=CC=C(C=C2)C(=O)O)C |
Product Overview
Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- (CAS 824431-10-9), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-
Property Insights of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-
The XLogP value of 2.26774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- 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 Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-?
The CAS number of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- is 824431-10-9.
What is the molecular formula of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-?
The molecular formula of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- is C13H15N3O2.
What is the molecular weight of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-?
The molecular weight of Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- is 245.12 g/mol.
Where can I buy Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-?
You can request a quote for Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.