N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
TL;DR: N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide (CAS 54385-57-8) is a chemical compound with molecular formula C11H13N5O and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
Also Known As: N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide, N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide, PROPANAMIDE,N-(4,5-DICYANO-1-METHYL-1H-PYRAZOL-3-YL)-2,2-DIMETHYL-
| Molecular Formula | C11H13N5O |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.11201 |
| Heavy Atoms | 17 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 54385-57-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=NN(C(=C1C#N)C#N)C |
| InChIKey | DRPMSHYNJFAMIP-UHFFFAOYSA-N |
Product Overview
N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide (CAS 54385-57-8), with molecular formula C11H13N5O and molecular weight 231.11 g/mol. IUPAC: N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide.
Chemical Property Profile of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
Property Insights of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide. Following Lipinski's Rule of Five, N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide 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 N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide?
The CAS number of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide is 54385-57-8.
What is the molecular formula of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide?
The molecular formula of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide is C11H13N5O.
What is the molecular weight of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide?
The molecular weight of N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide is 231.11 g/mol.
Where can I buy N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide?
You can request a quote for N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.