(3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone
TL;DR: (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone (CAS 69413-26-9) is a chemical compound with molecular formula C12H10N4O5 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone
Also Known As: BAS 00396285, (3,5-dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone, 3,5-dimethylpyrazolyl 3,5-dinitrophenyl ketone, (3,5-dimethyl-1H-pyrazol-1-yl)(3,5-dinitrophenyl)methanone, (3,5-Dimethyl-pyrazol-1-yl)-(3,5-dinitro-phenyl)-methanone
| Molecular Formula | C12H10N4O5 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.00484 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06512 |
| Heavy Atoms | 21 |
| Complexity | 732.7534 |
Chemical Identifiers
| CAS Number | 69413-26-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
(3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone (CAS 69413-26-9), with molecular formula C12H10N4O5 and molecular weight 290.07 g/mol. IUPAC: (3,5-dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone
Property Insights of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone
The XLogP value of 2.00484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone. Following Lipinski's Rule of Five, (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone has 0 hydrogen bond donor(s) and 6 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-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone?
The CAS number of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone is 69413-26-9.
What is the molecular formula of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone?
The molecular formula of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone is C12H10N4O5.
What is the molecular weight of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone?
The molecular weight of (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone is 290.07 g/mol.
Where can I buy (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone?
You can request a quote for (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylpyrazol-1-yl)-(3,5-dinitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.