1H-pyrazole-4-carbaldehyde
TL;DR: 1H-pyrazole-4-carbaldehyde (CAS 1197231-15-4) is a chemical compound with molecular formula C4H4N2O and molecular weight 96.032364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-pyrazole-4-carbaldehyde
Also Known As: 1H-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde, null, 4-Formyl-pyrazole, 4-pyrazolecarboxaldehyde
Technical Specifications
| Molecular Formula | C4H4N2O |
| Molecular Weight | 96.032364 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.032364 Da |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
| SMILES | C1=C(C=NN1)C=O |
| InChIKey | LRGBDJBDJXZTTD-UHFFFAOYSA-N |
Chemical Property Profile of 1H-pyrazole-4-carbaldehyde
Property Insights of 1H-pyrazole-4-carbaldehyde
The XLogP value of -0.9 indicates that 1H-pyrazole-4-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.8 Ų, 1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1H-pyrazole-4-carbaldehyde?
The CAS number of 1H-pyrazole-4-carbaldehyde is 1197231-15-4.
What is the molecular formula of 1H-pyrazole-4-carbaldehyde?
The molecular formula of 1H-pyrazole-4-carbaldehyde is C4H4N2O.
What is the molecular weight of 1H-pyrazole-4-carbaldehyde?
The molecular weight of 1H-pyrazole-4-carbaldehyde is 96.032364 g/mol.
Where can I buy 1H-pyrazole-4-carbaldehyde?
You can request a quote for 1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.