3,5-Dimethylpyrazolyl 4-nitrophenyl ketone
TL;DR: 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone (CAS 36140-80-4) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpyrazol-1-yl)-(4-nitrophenyl)methanone
Also Known As: 3,5-dimethyl-1-(4-nitrobenzoyl)-1H-pyrazole, 3,5-dimethyl-1-(4-nitro-benzoyl)-1H-pyrazole, 3,5-dimethylpyrazolyl 4-nitrophenyl ketone, (3,5-dimethylpyrazol-1-yl)-(4-nitrophenyl)methanone, (3,5-dimethyl-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 2.09664 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 613.9979 |
Chemical Identifiers
| CAS Number | 36140-80-4 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
3,5-Dimethylpyrazolyl 4-nitrophenyl ketone (CAS 36140-80-4), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: (3,5-dimethylpyrazol-1-yl)-(4-nitrophenyl)methanone.
Chemical Property Profile of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone
Property Insights of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone
The XLogP value of 2.09664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone. Following Lipinski's Rule of Five, 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone 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 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone?
The CAS number of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone is 36140-80-4.
What is the molecular formula of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone?
The molecular formula of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone is C12H11N3O3.
What is the molecular weight of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone?
The molecular weight of 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone is 245.08 g/mol.
Where can I buy 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone?
You can request a quote for 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylpyrazolyl 4-nitrophenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.