1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
TL;DR: 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate (CAS 956763-77-2) is a chemical compound with molecular formula C15H14ClN3O2 and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Also Known As: 1-cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate, 1-cyanoethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate, 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 1-cyanoethyl ester, 1-cyanoethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate, 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 1-cyanoethyl ester
| Molecular Formula | C15H14ClN3O2 |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 2.9621 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.07745 |
| Heavy Atoms | 21 |
| Complexity | 688.9346 |
Chemical Identifiers
| CAS Number | 956763-77-2 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)OC(C)C#N)Cl)CC2=CC=CC=C2 |
Product Overview
1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate (CAS 956763-77-2), with molecular formula C15H14ClN3O2 and molecular weight 303.08 g/mol. IUPAC: 1-cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate.
Chemical Property Profile of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Property Insights of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
The XLogP value of 2.9621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate. Following Lipinski's Rule of Five, 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-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
Frequently Asked Questions
What is the CAS number of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate?
The CAS number of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate is 956763-77-2.
What is the molecular formula of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate?
The molecular formula of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate is C15H14ClN3O2.
What is the molecular weight of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate?
The molecular weight of 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate is 303.08 g/mol.
Where can I buy 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate?
You can request a quote for 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanoethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.