Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
TL;DR: Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate (CAS 7188-97-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-1-phenylpyrazole-3-carboxylate
Also Known As: methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate, 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester, methyl 5-methyl-1-phenylpyrazole-3-carboxylate, J3.112.422K, methyl 5-methyl-1-phenyl-pyrazole-3-carboxylate
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.96732 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 502.99225 |
Chemical Identifiers
| CAS Number | 7188-97-8 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate (CAS 7188-97-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: methyl 5-methyl-1-phenylpyrazole-3-carboxylate.
Chemical Property Profile of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
Property Insights of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.96732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate has 0 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 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate?
The CAS number of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate is 7188-97-8.
What is the molecular formula of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate is C12H12N2O2.
What is the molecular weight of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight of Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate is 216.09 g/mol.
Where can I buy Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate?
You can request a quote for Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.