1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
TL;DR: 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde (CAS 120842-54-8) is a chemical compound with molecular formula C7H9ClN2O and molecular weight 172.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-methylpyrazole-4-carbaldehyde
Also Known As: 1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde, 1-(2-chloroethyl)-3-methylpyrazole-4-carbaldehyde, CHEMBRDG-BB 4004222, 1H-Pyrazole-4-carboxaldehyde, 1-(2-chloroethyl)-3-methyl-, 1-(2-chloroethyl)-3-methyl-4-formylpyrazole
Technical Specifications
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.04034 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.04034 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| SMILES | CC1=NN(C=C1C=O)CCCl |
| InChIKey | LIJDHFFQPSUECG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
Property Insights of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-methyl-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 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde is 120842-54-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde is C7H9ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde is 172.04034 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-(2-Chloroethyl)-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 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.