ethyl 3-isobutyl-1H-pyrazole-5-carboxylate
TL;DR: ethyl 3-isobutyl-1H-pyrazole-5-carboxylate (CAS 92945-33-0) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate
Also Known As: ethyl 3-isobutyl-1H-pyrazole-5-carboxylate, Sildenafil Impurity 211, ethyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate, 3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, ethyl3-isobutyl-1H-pyrazole-5-carboxylate
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 1.7849 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 304.82556 |
Chemical Identifiers
| CAS Number | 92945-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=NNC(=C1)CC(C)C |
Product Overview
ethyl 3-isobutyl-1H-pyrazole-5-carboxylate (CAS 92945-33-0), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: ethyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate
Property Insights of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate
The XLogP value of 1.7849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-isobutyl-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, ethyl 3-isobutyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-isobutyl-1H-pyrazole-5-carboxylate has 1 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 ethyl 3-isobutyl-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate is 92945-33-0.
What is the molecular formula of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate is C10H16N2O2.
What is the molecular weight of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 3-isobutyl-1H-pyrazole-5-carboxylate is 196.12 g/mol.
Where can I buy ethyl 3-isobutyl-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 3-isobutyl-1H-pyrazole-5-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-isobutyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-isobutyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.