N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (CAS 161235-74-1) is a chemical compound with molecular formula C12H12N4O4 and molecular weight 276.08585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Also Known As: N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide, N-benzyl-4-nitro-3-methoxy-1H-pyrazole-5-carboxamide, (3-methoxy-4-nitropyrazol-5-yl)-N-benzylcarboxamide, 5-Methoxy-4-nitro-2H-pyrazole-3-carboxylic acid benzylamide
Technical Specifications
| Molecular Formula | C12H12N4O4 |
| Molecular Weight | 276.08585 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.08585 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=CC=C2 |
| InChIKey | XZJYYTUHGOTCEN-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is 161235-74-1.
What is the molecular formula of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is C12H12N4O4.
What is the molecular weight of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is 276.08585 g/mol.
Where can I buy N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.