methyl 3-phenyl-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-phenyl-1H-pyrazole-5-carboxylate (CAS 56427-39-5) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenyl-1H-pyrazole-5-carboxylate
Also Known As: methyl 3-phenyl-1H-pyrazole-5-carboxylate, methyl 5-phenyl-1H-pyrazole-3-carboxylate, 5-Phenyl-1H-pyrazole-3-carboxylic acid methyl ester, RARECHEMALBF1033, TimTec1_008484
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 56427-39-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=NN1)C2=CC=CC=C2 |
| InChIKey | ROXAFVODFXYSFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-phenyl-1H-pyrazole-5-carboxylate (CAS 56427-39-5), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: methyl 3-phenyl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of methyl 3-phenyl-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-phenyl-1H-pyrazole-5-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-phenyl-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, methyl 3-phenyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-phenyl-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-phenyl-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-phenyl-1H-pyrazole-5-carboxylate is 56427-39-5.
What is the molecular formula of methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-phenyl-1H-pyrazole-5-carboxylate is C11H10N2O2.
What is the molecular weight of methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-phenyl-1H-pyrazole-5-carboxylate is 202.07 g/mol.
Where can I buy methyl 3-phenyl-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-phenyl-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-phenyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-phenyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.