benzyl 5-amino-1H-pyrazole-4-carboxylate
TL;DR: benzyl 5-amino-1H-pyrazole-4-carboxylate (CAS 32016-28-7) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-amino-1H-pyrazole-4-carboxylate
Also Known As: benzyl 5-amino-1H-pyrazole-4-carboxylate, BENZYL 5-AMINOPYRAZOLE-4-CARBOXYLATE, ETHYLENEGLYCOLDILAURATE, 5-Aminopyrazol-4-carbonsaeurebenzylester, benzyl5-amino-1H-pyrazole-4-carboxylate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.3489 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 478.9847 |
Chemical Identifiers
| CAS Number | 32016-28-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(NN=C2)N |
Product Overview
benzyl 5-amino-1H-pyrazole-4-carboxylate (CAS 32016-28-7), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: benzyl 5-amino-1H-pyrazole-4-carboxylate.
Chemical Property Profile of benzyl 5-amino-1H-pyrazole-4-carboxylate
Property Insights of benzyl 5-amino-1H-pyrazole-4-carboxylate
The XLogP value of 1.3489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 5-amino-1H-pyrazole-4-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 5-amino-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, benzyl 5-amino-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
Frequently Asked Questions
What is the CAS number of benzyl 5-amino-1H-pyrazole-4-carboxylate?
The CAS number of benzyl 5-amino-1H-pyrazole-4-carboxylate is 32016-28-7.
What is the molecular formula of benzyl 5-amino-1H-pyrazole-4-carboxylate?
The molecular formula of benzyl 5-amino-1H-pyrazole-4-carboxylate is C11H11N3O2.
What is the molecular weight of benzyl 5-amino-1H-pyrazole-4-carboxylate?
The molecular weight of benzyl 5-amino-1H-pyrazole-4-carboxylate is 217.09 g/mol.
Where can I buy benzyl 5-amino-1H-pyrazole-4-carboxylate?
You can request a quote for benzyl 5-amino-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 benzyl 5-amino-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 5-amino-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.