ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate (CAS 894526-26-2) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-1-(2-methylpropanoyl)-5-phenylpyrazole-4-carboxylate
Also Known As: ChemDiv2_004975, IDI1_003690, ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate, A2922/0123048, ethyl 3-amino-1-(2-methylpropanoyl)-5-phenylpyrazole-4-carboxylate
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 894526-26-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1N)C(=O)C(C)C)C2=CC=CC=C2 |
| InChIKey | SJNHPVYRIWRBDY-UHFFFAOYSA-N |
Product Overview
ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate (CAS 894526-26-2), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: ethyl 3-amino-1-(2-methylpropanoyl)-5-phenylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.2 indicates that ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate is 894526-26-2.
What is the molecular formula of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate is C16H19N3O3.
What is the molecular weight of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate is 301.14 g/mol.
Where can I buy ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 3-amino-1-isobutyryl-5-phenyl-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 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.