ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate (CAS 122814-02-2) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
Also Known As: ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate, AQ-777/42300664, ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
Technical Specifications
| Molecular Formula | C14H17N3O2 |
| Molecular Weight | 259.13208 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.13208 Da |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| SMILES | CCOC(=O)C1=C(NN=C1NCC2=CC=CC=C2)C |
| InChIKey | OULOTGUILQWKBM-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.2 indicates that ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate is 122814-02-2.
What is the molecular formula of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate is C14H17N3O2.
What is the molecular weight of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate is 259.13208 g/mol.
Where can I buy ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-(benzylamino)-3-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.