methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate (CAS 1003988-74-6) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-(phenoxymethyl)pyrazole-3-carboxylate
Also Known As: methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate, methyl 1-(phenoxymethyl)pyrazole-3-carboxylate, 1-Phenoxymethyl-1H-pyrazole-3-carboxylic acid methyl ester, methyl1-(phenoxymethyl)-1H-pyrazole-3-carboxylate, 1-phenoxymethyl-1 h-pyrazole-3-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.0848 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.0848 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | COC(=O)C1=NN(C=C1)COC2=CC=CC=C2 |
| InChIKey | DEYMARZBLCTSFV-UHFFFAOYSA-N |
Chemical Property Profile of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 53.4 Ų, methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(phenoxymethyl)-1H-pyrazole-3-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
What is the CAS number of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate is 1003988-74-6.
What is the molecular formula of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate is C12H12N2O3.
What is the molecular weight of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate is 232.0848 g/mol.
Where can I buy methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 1-(phenoxymethyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.