N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine
TL;DR: N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine (CAS 256332-63-5) is a chemical compound with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-3-methyl-4-nitro-1-phenylpyrazol-5-amine
Also Known As: N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine, N-(2-chloroethyl)-5-methyl-4-nitro-2-phenylpyrazol-3-amine, N-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine
| Molecular Formula | C12H13ClN4O2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.73962 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.0727 |
| Heavy Atoms | 19 |
| Complexity | 582.91534 |
Chemical Identifiers
| CAS Number | 256332-63-5 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])NCCCl)C2=CC=CC=C2 |
Product Overview
N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine (CAS 256332-63-5), with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol. IUPAC: N-(2-chloroethyl)-3-methyl-4-nitro-1-phenylpyrazol-5-amine.
Chemical Property Profile of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine
Property Insights of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine
The XLogP value of 2.73962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine. Following Lipinski's Rule of Five, N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine 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 N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine?
The CAS number of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine is 256332-63-5.
What is the molecular formula of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine?
The molecular formula of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine is C12H13ClN4O2.
What is the molecular weight of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine?
The molecular weight of N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine is 280.07 g/mol.
Where can I buy N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine?
You can request a quote for N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N5-(2-chloroethyl)-3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.