2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide
TL;DR: 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide (CAS 512814-58-3) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1H-indol-2-ylmethyl)acetamide
Also Known As: 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(1H-indol-2-ylmethyl)acetamide, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1H-indol-2-ylmethyl)acetamide
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 2.20584 |
| Topological Polar Surface Area | 105.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 892.0857 |
Chemical Identifiers
| CAS Number | 512814-58-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2=CC3=CC=CC=C3N2)C)[N+](=O)[O-] |
Product Overview
2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide (CAS 512814-58-3), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1H-indol-2-ylmethyl)acetamide.
Chemical Property Profile of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide
Property Insights of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide
The XLogP value of 2.20584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide. The TPSA of 105.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide has 2 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 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide?
The CAS number of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide is 512814-58-3.
What is the molecular formula of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide?
The molecular formula of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide is C16H17N5O3.
What is the molecular weight of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide?
The molecular weight of 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide is 327.13 g/mol.
Where can I buy 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide?
You can request a quote for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(1H-indol-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.