ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate (CAS 303066-82-2) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-benzyl-3-methylpyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate, J2.047.106I, ethyl 5-amino-1-benzyl-3-methylpyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-amino-3-methyl-1-(phenylmethyl)-, ethyl ester, ethyl 5-amino-3-methyl-1-benzylpyrazole-4-carboxylate
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 303066-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)N |
| InChIKey | ZIVXPMIRBSHHAM-UHFFFAOYSA-N |
Product Overview
ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate (CAS 303066-82-2), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: ethyl 5-amino-1-benzyl-3-methylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate is 303066-82-2.
What is the molecular formula of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate is C14H17N3O2.
What is the molecular weight of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate is 259.13 g/mol.
Where can I buy ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.