3-methyl-1H-pyrazole-4-carbaldehyde
TL;DR: 3-methyl-1H-pyrazole-4-carbaldehyde (CAS 1257849-73-2) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.04801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1H-pyrazole-4-carbaldehyde
Also Known As: 3-methyl-1H-pyrazole-4-carbaldehyde, 5-methyl-1H-pyrazole-4-carbaldehyde, null, 3-Methyl-1H-pyrazole-4-carboxaldehyde, 3-Methylpyrazole-4-carbaldehyde
Technical Specifications
| Molecular Formula | C5H6N2O |
| Molecular Weight | 110.04801 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.04801 Da |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
| SMILES | CC1=C(C=NN1)C=O |
| InChIKey | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-1H-pyrazole-4-carbaldehyde
Property Insights of 3-methyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 45.8 Ų, 3-methyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1H-pyrazole-4-carbaldehyde has 1 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-methyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-methyl-1H-pyrazole-4-carbaldehyde is 1257849-73-2.
What is the molecular formula of 3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-methyl-1H-pyrazole-4-carbaldehyde is C5H6N2O.
What is the molecular weight of 3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-methyl-1H-pyrazole-4-carbaldehyde is 110.04801 g/mol.
Where can I buy 3-methyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-methyl-1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-methyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.