methyl 1-phenyl-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-phenyl-1H-pyrazole-3-carboxylate (CAS 7188-95-6) 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 1-phenylpyrazole-3-carboxylate
Also Known As: 1-phenyl-3-methoxycarbonylpyrazole, methyl 1-phenyl-1H-pyrazole-3-carboxylate, methyl 1-phenylpyrazole-3-carboxylate, J3.112.421B, AE-842/32538033
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.6589 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 462.44998 |
Chemical Identifiers
| CAS Number | 7188-95-6 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)C2=CC=CC=C2 |
Product Overview
methyl 1-phenyl-1H-pyrazole-3-carboxylate (CAS 7188-95-6), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: methyl 1-phenylpyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-phenyl-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-phenyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.6589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-phenyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 1-phenyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1-phenyl-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-phenyl-1H-pyrazole-3-carboxylate is 7188-95-6.
What is the molecular formula of methyl 1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-phenyl-1H-pyrazole-3-carboxylate is C11H10N2O2.
What is the molecular weight of methyl 1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-phenyl-1H-pyrazole-3-carboxylate is 202.07 g/mol.
Where can I buy methyl 1-phenyl-1H-pyrazole-3-carboxylate?
You can request a quote for 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 1-phenyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-phenyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.