5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole
TL;DR: 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole (CAS 957511-68-1) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-nitro-N-phenylpyrazol-5-amine
Also Known As: 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole, 2,5-dimethyl-4-nitro-N-phenylpyrazol-3-amine
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 2.38032 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 548.0991 |
Chemical Identifiers
| CAS Number | 957511-68-1 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])NC2=CC=CC=C2)C |
Product Overview
5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole (CAS 957511-68-1), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: 1,3-dimethyl-4-nitro-N-phenylpyrazol-5-amine.
Chemical Property Profile of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole
Property Insights of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole
The XLogP value of 2.38032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole has 1 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 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole?
The CAS number of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole is 957511-68-1.
What is the molecular formula of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole?
The molecular formula of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole is C11H12N4O2.
What is the molecular weight of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole?
The molecular weight of 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole is 232.10 g/mol.
Where can I buy 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole?
You can request a quote for 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-anilino-4-nitro-1,3-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.