1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
TL;DR: 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- (CAS 22042-79-1) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde
Also Known As: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde, 3,5-dimethyl-4-formyl-1-phenylpyrazole, 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-, 3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.09496 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 Da |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
| Solubility | 23.1 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C=O |
| InChIKey | VOMRTQQGXWPTJK-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
Property Insights of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-. With a topological polar surface area (TPSA) of 34.9 Ų, 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- 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
What is the CAS number of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-?
The CAS number of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- is 22042-79-1.
What is the molecular formula of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-?
The molecular formula of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- is C12H12N2O.
What is the molecular weight of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-?
The molecular weight of 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- is 200.09496 g/mol.
Where can I buy 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-?
You can request a quote for 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.