4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
TL;DR: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CAS 852691-53-3) is a chemical compound with molecular formula C12H14ClN5O4 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
Also Known As: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide, 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide, 4-(4-chloro-5-methyl-3-nitropyrazolyl)-N-(5-methylisoxazol-3-yl)butanamide, 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methylisoxazol-3-yl)butanamide, 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-3-isoxazolyl)butanamide
| Molecular Formula | C12H14ClN5O4 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.07343 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 852691-53-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C |
| InChIKey | KQPRMLLLPJUDGF-UHFFFAOYSA-N |
Product Overview
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CAS 852691-53-3), with molecular formula C12H14ClN5O4 and molecular weight 327.07 g/mol. IUPAC: 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
Chemical Property Profile of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
Property Insights of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide. Following Lipinski's Rule of Five, 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide 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 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The CAS number of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is 852691-53-3.
What is the molecular formula of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The molecular formula of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is C12H14ClN5O4.
What is the molecular weight of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The molecular weight of 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is 327.07 g/mol.
Where can I buy 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
You can request a quote for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.