TL;DR: 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 129909-69-9) is a chemical compound with molecular formula C10H8Cl2N4 and molecular weight 254.0126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Also Known As: 7-chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5T-0294, 7-chloro-6-(2-chloroethyl)-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 7-chloro-6-(2-chloroethyl)-5-methyl-, 2-chloro-3-(2-chloroethyl)-4-methyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-7-carbonitrile
| Molecular Formula | C10H8Cl2N4 |
| Molecular Weight | 254.0126 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.0126 Da |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
| SMILES | CC1=NC2=C(C=NN2C(=C1CCCl)Cl)C#N |
| InChIKey | JBBDCFBDYGDSDI-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is 129909-69-9.
The molecular formula of 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is C10H8Cl2N4.
The molecular weight of 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is 254.0126 g/mol.
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