Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate
TL;DR: Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate (CAS 58456-63-6) is a chemical compound with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(dimethylaminodiazenyl)-1H-pyrazole-4-carboxylate
Also Known As: Pentin-1-ol-4-p-toluolsulfonat, ethyl 3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate, ETHYL (3Z)-3-(DIMETHYLAMINOHYDRAZINYLIDENE)PYRAZOLE-4-CARBOXYLATE, Ethyl 3-(3,3-dimethyltriazan-1-ylidene)-3H-pyrazole-4-carboxylate
| Molecular Formula | C8H13N5O2 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.10692 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 58456-63-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)N=NN(C)C |
| InChIKey | NSPHOSJPVHHXCL-UHFFFAOYSA-N |
Product Overview
Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate (CAS 58456-63-6), with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol. IUPAC: ethyl 5-(dimethylaminodiazenyl)-1H-pyrazole-4-carboxylate.
Chemical Property Profile of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate
Property Insights of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate?
The CAS number of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate is 58456-63-6.
What is the molecular formula of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate?
The molecular formula of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate is C8H13N5O2.
What is the molecular weight of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate?
The molecular weight of Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate is 211.11 g/mol.
Where can I buy Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate?
You can request a quote for Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3Z)-3-(dimethylaminohydrazinylidene)pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.