Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester
TL;DR: Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester (CAS 66751-72-2) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(E)-(1-methylpiperidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate
Also Known As: 5-((1-Methyl-2-piperidylidene)amino)pyrazole-4-carboxylic acid ethyl ester, Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester, ethyl 5-[(1-methylpiperidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate, 5-[(1-Methylpiperidin-2-ylidene)amino]-1H-pyrazole-4-carboxylic acid ethyl ester, RefChem:1097237
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.7321 |
| Topological Polar Surface Area | 70.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 452.6848 |
Chemical Identifiers
| CAS Number | 66751-72-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)/N=C/2\CCCCN2C |
Product Overview
Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester (CAS 66751-72-2), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: ethyl 5-[(E)-(1-methylpiperidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate.
Chemical Property Profile of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester
Property Insights of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester
The XLogP value of 1.7321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester. The TPSA of 70.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester. Following Lipinski's Rule of Five, Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester 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 Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester?
The CAS number of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester is 66751-72-2.
What is the molecular formula of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester?
The molecular formula of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester is C12H18N4O2.
What is the molecular weight of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester?
The molecular weight of Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester is 250.14 g/mol.
Where can I buy Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester?
You can request a quote for Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.