(3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
TL;DR: (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 70583-76-5) is a chemical compound with molecular formula C12H11BrN2O and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: BIM-0016273.P001, (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone, 1-(3-bromobenzoyl)-3,5-dimethyl-1H-pyrazole, (3-bromophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
| Molecular Formula | C12H11BrN2O |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 2.95094 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0055 |
| Heavy Atoms | 16 |
| Complexity | 545.70184 |
Chemical Identifiers
| CAS Number | 70583-76-5 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=CC=C2)Br)C |
Product Overview
(3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 70583-76-5), with molecular formula C12H11BrN2O and molecular weight 278.01 g/mol. IUPAC: (3-bromophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Property Insights of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
The XLogP value of 2.95094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone. With a topological polar surface area (TPSA) of 34.89 Ų, (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone has 0 hydrogen bond donor(s) and 2 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-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The CAS number of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 70583-76-5.
What is the molecular formula of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular formula of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is C12H11BrN2O.
What is the molecular weight of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular weight of (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 278.01 g/mol.
Where can I buy (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
You can request a quote for (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-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 (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-bromophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.