N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide
TL;DR: N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide (CAS 5550-99-2) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitro-N-propan-2-ylbenzamide
Also Known As: N-(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)-4-NITRO-N-PROPAN-2-YL-BENZAMIDE, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitro-N-propan-2-ylbenzamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-isopropyl-4-nitrobenzamide, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitro-N-(propan-2-yl)benzamide
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 3.44782 |
| Topological Polar Surface Area | 90.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 1112.078 |
Chemical Identifiers
| CAS Number | 5550-99-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide (CAS 5550-99-2), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitro-N-propan-2-ylbenzamide.
Chemical Property Profile of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide
Property Insights of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide
The XLogP value of 3.44782 indicates that N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide. Following Lipinski's Rule of Five, N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide 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 N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide?
The CAS number of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide is 5550-99-2.
What is the molecular formula of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide?
The molecular formula of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide is C21H22N4O4.
What is the molecular weight of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide?
The molecular weight of N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide is 394.16 g/mol.
Where can I buy N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide?
You can request a quote for N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-YL)-4-nitro-N-propan-2-YL-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.