methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate (CAS 1159596-87-8) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-naphthalen-1-yl-1H-pyrazole-5-carboxylate
Also Known As: methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate, methyl 5-(naphthalen-1-yl)-1H-pyrazole-3-carboxylate, methyl 3-naphthalen-1-yl-1H-pyrazole-5-carboxylate, methyl 3-naphthylpyrazole-5-carboxylate, 5-Naphthalen-1-yl-1H-pyrazole-3-carboxylic acid methyl ester
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 3.0165 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 741.2452 |
Chemical Identifiers
| CAS Number | 1159596-87-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=NN1)C2=CC=CC3=CC=CC=C32 |
Product Overview
methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate (CAS 1159596-87-8), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: methyl 3-naphthalen-1-yl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate
The XLogP value of 3.0165 indicates that methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(naphthalen-1-yl)-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 methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate is 1159596-87-8.
What is the molecular formula of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate is C15H12N2O2.
What is the molecular weight of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate is 252.09 g/mol.
Where can I buy methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-(naphthalen-1-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-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(naphthalen-1-yl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.