3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile
TL;DR: 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile (CAS 1001500-81-7) is a chemical compound with molecular formula C7H7Cl2N3 and molecular weight 203.00171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4,5-dichloro-3-methylpyrazol-1-yl)propanenitrile
Also Known As: 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile, 3-(4,5-Dichloro-3-methyl-pyrazol-1-yl)-propionitrile, 3-(4,5-dichloro-3-methylpyrazol-1-yl)propanenitrile, 1H-pyrazole-1-propanenitrile, 4,5-dichloro-3-methyl-, 3-(4,5-dichloro-3-methylpyrazolyl)propanenitrile
Technical Specifications
| Molecular Formula | C7H7Cl2N3 |
| Molecular Weight | 203.00171 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.00171 Da |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
| SMILES | CC1=NN(C(=C1Cl)Cl)CCC#N |
| InChIKey | WZYTWLGCFDRSDD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile
Property Insights of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 41.6 Ų, 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile 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-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile?
The CAS number of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile is 1001500-81-7.
What is the molecular formula of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile?
The molecular formula of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile is C7H7Cl2N3.
What is the molecular weight of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile?
The molecular weight of 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile is 203.00171 g/mol.
Where can I buy 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile?
You can request a quote for 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4,5-dichloro-3-methyl-1H-pyrazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.