TL;DR: 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 138254-43-0) is a chemical compound with molecular formula C15H12N4 and molecular weight 248.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Also Known As: BAS 05427486, 2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2,5-Dimethyl-7-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2,5-Dimethyl-7-phenylpyrazolo(1,5-a) pyrimidine-3-carbonitrile
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H12N4 |
| Molecular Weight | 248.1062 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.1062 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C#N |
| InChIKey | XGFNYRLYWZRFSQ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-7-phenylpyrazolo[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 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is 138254-43-0.
The molecular formula of 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is C15H12N4.
The molecular weight of 2,5-Dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is 248.1062 g/mol.
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