Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate
TL;DR: Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate (CAS 25428-29-9) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(hydroxymethyl)-5-methylpyrazole-3-carboxylate
Also Known As: J1.590.132B, ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate, ethyl 1-(hydroxymethyl)-5-methylpyrazole-3-carboxylate, 1-Hydroxymethyl-5-methyl-pyrazol-3-carbonsaeure-ethylester, 1-(Hydroxymethyl)-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 0.31802 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 306.33783 |
Chemical Identifiers
| CAS Number | 25428-29-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C)CO |
Product Overview
Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate (CAS 25428-29-9), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: ethyl 1-(hydroxymethyl)-5-methylpyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate
Property Insights of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate
The XLogP value of 0.31802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate has 1 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 Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate?
The CAS number of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate is 25428-29-9.
What is the molecular formula of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate?
The molecular formula of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate is C8H12N2O3.
What is the molecular weight of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate?
The molecular weight of Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate is 184.08 g/mol.
Where can I buy Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate?
You can request a quote for Ethyl 1-(hydroxymethyl)-5-methyl-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 Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(hydroxymethyl)-5-methyl-1h-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.