3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde
TL;DR: 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS 1217706-21-2) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropyl)-1-phenylpyrazole-4-carbaldehyde
Also Known As: 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 3-(2-methylpropyl)-1-phenylpyrazole-4-carbaldehyde, 1-phenyl-3-isobutylpyrazole-4-carbaldehyde, 3-isobutyl-1-phenyl-pyrazole-4-carbaldehyde, 3-(2-methylpropyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
Technical Specifications
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.12627 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.12627 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | CC(C)CC1=NN(C=C1C=O)C2=CC=CC=C2 |
| InChIKey | YTPBEOKDVWZQDB-UHFFFAOYSA-N |
Chemical Property Profile of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Property Insights of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 3.0 indicates that 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde 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 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde is 1217706-21-2.
What is the molecular formula of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde is C14H16N2O.
What is the molecular weight of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde is 228.12627 g/mol.
Where can I buy 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.