methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
TL;DR: methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate (CAS 400074-76-2) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate
Also Known As: methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate, methyl 1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylate, methyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate, methyl 1-phenyl-3-(4-pyridyl)pyrazole-4-carboxylate, methyl1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.7209 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 751.70795 |
Chemical Identifiers
| CAS Number | 400074-76-2 |
|---|---|
| SMILES | COC(=O)C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3 |
Product Overview
methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate (CAS 400074-76-2), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: methyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate.
Chemical Property Profile of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
Property Insights of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
The XLogP value of 2.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate?
The CAS number of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate is 400074-76-2.
What is the molecular formula of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate?
The molecular formula of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate is C16H13N3O2.
What is the molecular weight of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate?
The molecular weight of methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate is 279.10 g/mol.
Where can I buy methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate?
You can request a quote for methyl 1-phenyl-3-(4-pyridinyl)-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 methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.