1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
TL;DR: 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- (CAS 42329-05-5) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
Also Known As: ChemDiv3_004837, 1-Isonicotinyl-3,5-dimethylpyrazole, 3,5-Dimethyl-1- -1H-Pyrazole, 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-, 3,5-Dimethyl-1-(4-pyridinylcarbonyl)-1H-pyrazole
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 42329-05-5 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC=NC=C2)C |
| InChIKey | VXESXFNPRURVHH-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- (CAS 42329-05-5), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone.
Chemical Property Profile of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
Property Insights of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-. With a topological polar surface area (TPSA) of 47.8 Ų, 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- has 0 hydrogen bond donor(s) and 3 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 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-?
The CAS number of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- is 42329-05-5.
What is the molecular formula of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-?
The molecular formula of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- is C11H11N3O.
What is the molecular weight of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-?
The molecular weight of 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- is 201.09 g/mol.
Where can I buy 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-?
You can request a quote for 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.