4-iodo-1-methyl-1H-pyrazole-3-carbonitrile
TL;DR: 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile (CAS 1003988-53-1) is a chemical compound with molecular formula C5H4IN3 and molecular weight 232.94499 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-1-methylpyrazole-3-carbonitrile
Also Known As: 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile, 4-iodo-1-methylpyrazole-3-carbonitrile, 4-iodo-1-methyl-pyrazole-3-carbonitrile, 4-IODO-1-METHYL-1H-PYRAZOL-3-YL CYANIDE, G46305
Technical Specifications
| Molecular Formula | C5H4IN3 |
| Molecular Weight | 232.94499 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.94499 Da |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
| SMILES | CN1C=C(C(=N1)C#N)I |
| InChIKey | UISLLIUBNRIIBI-UHFFFAOYSA-N |
Chemical Property Profile of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile
Property Insights of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile. With a topological polar surface area (TPSA) of 41.6 Ų, 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile 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 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile?
The CAS number of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile is 1003988-53-1.
What is the molecular formula of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile?
The molecular formula of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile is C5H4IN3.
What is the molecular weight of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile?
The molecular weight of 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile is 232.94499 g/mol.
Where can I buy 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile?
You can request a quote for 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.