methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate (CAS 890006-20-9) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
Also Known As: methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate, SDCCGMLS-0064479.P001, methyl 3-indol-3-ylpyrazole-5-carboxylate, methyl 5-(1h-indol-3-yl)-1h-pyrazole-3-carboxylate, methyl3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.3446 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 711.6809 |
Chemical Identifiers
| CAS Number | 890006-20-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=NN1)C2=CNC3=CC=CC=C32 |
Product Overview
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate (CAS 890006-20-9), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate.
Chemical Property Profile of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
The XLogP value of 2.3446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate has 2 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 methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is 890006-20-9.
What is the molecular formula of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is C13H11N3O2.
What is the molecular weight of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate is 241.09 g/mol.
Where can I buy methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-(1H-indol-3-yl)-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 methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.