3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide
TL;DR: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide (CAS 1005706-11-5) is a chemical compound with molecular formula C13H19ClN4O3 and molecular weight 314.11456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chloro-3-nitropyrazol-1-yl)-N-cycloheptylpropanamide
Also Known As: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide, 3-(4-chloro-3-nitropyrazolyl)-N-cycloheptylpropanamide, 3-(4-chloro-3-nitropyrazol-1-yl)-N-cycloheptylpropanamide, 3-(4-chloro-3-nitro-pyrazol-1-yl)-N-cycloheptyl-propanamide, 3-(4-CHLORO-3-NITRO-1H-PYRAZOL-1-YL)-N~1~-CYCLOHEPTYLPROPANAMIDE
Technical Specifications
| Molecular Formula | C13H19ClN4O3 |
| Molecular Weight | 314.11456 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11456 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | C1CCCC(CC1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Cl |
| InChIKey | KAFZIUHXMXPGNO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide
Property Insights of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide. Following Lipinski's Rule of Five, 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide 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
What is the CAS number of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide?
The CAS number of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide is 1005706-11-5.
What is the molecular formula of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide?
The molecular formula of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide is C13H19ClN4O3.
What is the molecular weight of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide?
The molecular weight of 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide is 314.11456 g/mol.
Where can I buy 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide?
You can request a quote for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide?
Yes, CoreyChem provides custom synthesis services for 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.