4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole
TL;DR: 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole (CAS 414895-90-2) is a chemical compound with molecular formula C10H9IN4O2 and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
Also Known As: BAS 00614033, 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole, N-(4-iodophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine, (4-iodophenyl)(3-methyl-4-nitropyrazol-5-yl)amine, (4-Iodo-phenyl)-(5-methyl-4-nitro-2H-pyrazol-3-yl)-amine
| Molecular Formula | C10H9IN4O2 |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 2.97452 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.97702 |
| Heavy Atoms | 17 |
| Complexity | 549.9336 |
Chemical Identifiers
| CAS Number | 414895-90-2 |
|---|---|
| SMILES | CC1=C(C(=NN1)NC2=CC=C(C=C2)I)[N+](=O)[O-] |
Product Overview
4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole (CAS 414895-90-2), with molecular formula C10H9IN4O2 and molecular weight 343.98 g/mol. IUPAC: N-(4-iodophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
Chemical Property Profile of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole
Property Insights of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole
The XLogP value of 2.97452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole 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 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole?
The CAS number of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole is 414895-90-2.
What is the molecular formula of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole?
The molecular formula of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole is C10H9IN4O2.
What is the molecular weight of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole?
The molecular weight of 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole is 343.98 g/mol.
Where can I buy 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole?
You can request a quote for 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-5-(4-iodoanilino)-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.