N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide
TL;DR: N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide (CAS 956691-13-7) is a chemical compound with molecular formula C12H12IN3O and molecular weight 341.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(4-iodopyrazol-1-yl)acetamide
Also Known As: N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide, 2-(4-iodopyrazolyl)-N-benzylacetamide, N-benzyl-2-(4-iodopyrazol-1-yl)acetamide, 1H-Pyrazole-1-acetamide, 4-iodo-N-(phenylmethyl)-, A3761/0159526
| Molecular Formula | C12H12IN3O |
|---|---|
| Molecular Weight | 341.00 g/mol |
| LogP | 1.8041 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0025 |
| Heavy Atoms | 17 |
| Complexity | 495.46167 |
Chemical Identifiers
| CAS Number | 956691-13-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CN2C=C(C=N2)I |
Product Overview
N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide (CAS 956691-13-7), with molecular formula C12H12IN3O and molecular weight 341.00 g/mol. IUPAC: N-benzyl-2-(4-iodopyrazol-1-yl)acetamide.
Chemical Property Profile of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide
Property Insights of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide
The XLogP value of 1.8041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide has 1 hydrogen bond donor(s) and 2 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-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide?
The CAS number of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide is 956691-13-7.
What is the molecular formula of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide?
The molecular formula of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide is C12H12IN3O.
What is the molecular weight of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide?
The molecular weight of N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide is 341.00 g/mol.
Where can I buy N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide?
You can request a quote for N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(4-iodo-1H-pyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.