3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole
TL;DR: 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole (CAS 69413-23-6) 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)-(3-nitrophenyl)methanone
Also Known As: 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole, (3,5-dimethylpyrazol-1-yl)-(3-nitrophenyl)methanone, 3,5-dimethylpyrazolyl 3-nitrophenyl ketone, BAS 00396232, (3,5-dimethyl-1H-pyrazol-1-yl)(3-nitrophenyl)methanone
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 69413-23-6 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C |
| InChIKey | SRYHHIKCZRBRLU-UHFFFAOYSA-N |
Product Overview
3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole (CAS 69413-23-6), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: (3,5-dimethylpyrazol-1-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole
Property Insights of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole 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-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole?
The CAS number of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole is 69413-23-6.
What is the molecular formula of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole?
The molecular formula of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole is C12H11N3O3.
What is the molecular weight of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole?
The molecular weight of 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole is 245.08 g/mol.
Where can I buy 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole?
You can request a quote for 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-1-(3-nitrobenzoyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.