(2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone
TL;DR: (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone (CAS 489408-35-7) is a chemical compound with molecular formula C12H10ClN3O3 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone
Also Known As: (2-chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone, 1-(2-chlorobenzoyl)-4-nitro-3,5-dimethyl-1H-pyrazole, 3,5-dimethyl-4-nitropyrazolyl 2-chlorophenyl ketone, (2-chlorophenyl)-(3,5-dimethyl-4-nitro-pyrazol-1-yl)methanone, (2-chlorophenyl)(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanone
| Molecular Formula | C12H10ClN3O3 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 2.75004 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.04108 |
| Heavy Atoms | 19 |
| Complexity | 678.8543 |
Chemical Identifiers
| CAS Number | 489408-35-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC=CC=C2Cl)C)[N+](=O)[O-] |
Product Overview
(2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone (CAS 489408-35-7), with molecular formula C12H10ClN3O3 and molecular weight 279.04 g/mol. IUPAC: (2-chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone.
Chemical Property Profile of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone
Property Insights of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone
The XLogP value of 2.75004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone. Following Lipinski's Rule of Five, (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone has 0 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-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone?
The CAS number of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone is 489408-35-7.
What is the molecular formula of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone?
The molecular formula of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone is C12H10ClN3O3.
What is the molecular weight of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone?
The molecular weight of (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone is 279.04 g/mol.
Where can I buy (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone?
You can request a quote for (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.